SCHEMBL4337486

SCHEMBL4337486

CS(=O)(=O)O.O=C(O)c1sc2cc(C(F)(F)F)ccc2c1Nc1ccncc1

nearest known ligand 0.40

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 known ✓ O75116 1/20 0.40
ABL1 known ✓ P00519 1/20 0.40
ROCK1 known ✓ Q13464 1/20 0.40
CHEK1 O14757 1/20 0.40
DAPK3 O43293 1/20 0.40
RPS6KA5 O75582 1/20 0.40
CHEK2 O96017 1/20 0.40
PRKACA P17612 1/20 0.40
RPS6KB1 P23443 1/20 0.40
AKT1 P31749 1/20 0.40
AKT2 P31751 1/20 0.40
CLK2 P49760 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
RPS6KA3 P51812 1/20 0.40
CSNK1G2 P78368 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKG2 Q13237 1/20 0.40
PRKG1 Q13976 1/20 0.40
PKN2 Q16513 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14174318 0.94 CHEK1 (0.43) CHEK1DAPK3ROCK2RPS6KA5CHEK2
SCHEMBL4337592 0.82 DHODH (0.50) LMNAKDM4EALDH1A1DHODHTP53
Hydrochloric Acid SCHEMBL4337589 0.81 DHODH (0.49) LMNAKDM4EALDH1A1DHODHTP53
SCHEMBL4339474 0.79 BCKDK (0.53) MKNK2KDM4ECSF1RTP53
SCHEMBL14185632 0.79 ROCK2 (0.39) CHEK1DAPK3ROCK2RPS6KA5CHEK2
SCHEMBL13758186 0.78 ABL1 (0.41) CHEK1DAPK3ROCK2RPS6KA5CHEK2
SCHEMBL4342220 0.74 NPC1 (0.54) AURKBCSNK1G1JAK2LMNACYP2C9
Hydrochloric Acid SCHEMBL4344170 0.73 NPC1 (0.53) AURKBCSNK1G1JAK2LMNACYP2C9
SCHEMBL29938032 0.72 LMNA (0.42) ACP1LMNACYP2C9CYP2C19KDM4E
SCHEMBL28836383 0.72 LMNA (0.42) ACP1LMNACYP2C9CYP2C19KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132481-A1 INTERLEUKIN-4 GENE EXPRESSION INHIBITORS AVENTIS PHARMACEUTICALS INC. 2008-06-05 US claimed
EP-1834947-A2 3-substituted amino-1H-indole-2-carboxylic acid and 3-substituted amino-benzo[B]thiophene-2carboxylic acid derivatives as interleukin-4 gene expression inhibitors Aventis Pharmaceuticals, Inc. (US) 2007-09-19 EP claimed
EP-1501796-A1 3-SUBSTITUTED AMINO-1H-INDOLE-2-CARBOXYLIC ACID AND 3-SUBSTITUTED AMINO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID DERIVATIVES AS INTERLEUKIN-4 GENE EXPRESSION INHIBITORS Aventis Pharmaceuticals Inc. (US) 2005-02-02 EP claimed
EP-1501797-A1 3-SUBSTITUTED AMINO-1H-INDOLE-2-CARBOXYLIC ACID AND 3-SUBSTITUTED AMINO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID DERIVATIVES AS INTERLEUKIN-4 GENE EXPRESSION INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2005-02-02 EP claimed
US-20040010029-A1 Indole derivatives as interleukin -4 gene expression inhibitors AVENTIS PHARMACEUTICALS INC. 2004-01-15 US claimed
US-20040006123-A1 Interleukin-4 gene expression inhibitors AVENTIS PHARMACEUTICALS INC. 2004-01-08 US claimed
WO-2003091215-A1 3-SUBSTITUTED AMINO-1H-INDOLE-2-CARBOXYLIC ACID AND 3-SUBSTITUTED AMINO-BENZO’ B! THIOPHENE-2-CARBOXYLIC ACID DERIVATIVES AS INTERIEUKIN-4 GENE EXPRESSION INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2003-11-06 WO claimed
WO-2003091214-A1 3-SUBSTITUTED AMINO-1H-INDOLE-2-CARBOXYLIC ACID AND 3-SUBSTITUTED AMINO-BENZO AVENTIS PHARMACEUTICALS INC. (US) 2003-11-06 WO claimed
EP-1501797-B1 3-(SUBSTITUTED AMINO)-1H-INDOLE-2-CARBOXYLIC ACID ESTER AND 3-(SUBSTITUTED AMINO)-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID ESTER DERIVATIVES AS INTERLEUKIN-4 GENE EXPRESSION INHIBITORS AVENTIS PHARMA INC (US) 2009-08-05 EP disclosed
US-20080132481-A1 INTERLEUKIN-4 GENE EXPRESSION INHIBITORS AVENTIS PHARMACEUTICALS INC. 2008-06-05 US disclosed
EP-1834947-A2 3-substituted amino-1H-indole-2-carboxylic acid and 3-substituted amino-benzo[B]thiophene-2carboxylic acid derivatives as interleukin-4 gene expression inhibitors Aventis Pharmaceuticals, Inc. (US) 2007-09-19 EP disclosed
US-7169925-B2 Indole derivatives as interleukin-4 gene expression inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-01-30 US disclosed
EP-1501796-A1 3-SUBSTITUTED AMINO-1H-INDOLE-2-CARBOXYLIC ACID AND 3-SUBSTITUTED AMINO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID DERIVATIVES AS INTERLEUKIN-4 GENE EXPRESSION INHIBITORS Aventis Pharmaceuticals Inc. (US) 2005-02-02 EP disclosed
EP-1501797-A1 3-SUBSTITUTED AMINO-1H-INDOLE-2-CARBOXYLIC ACID AND 3-SUBSTITUTED AMINO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID DERIVATIVES AS INTERLEUKIN-4 GENE EXPRESSION INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2005-02-02 EP disclosed
US-20040010029-A1 Indole derivatives as interleukin -4 gene expression inhibitors AVENTIS PHARMACEUTICALS INC. 2004-01-15 US disclosed
US-20040006123-A1 Interleukin-4 gene expression inhibitors AVENTIS PHARMACEUTICALS INC. 2004-01-08 US disclosed
WO-2003091215-A1 3-SUBSTITUTED AMINO-1H-INDOLE-2-CARBOXYLIC ACID AND 3-SUBSTITUTED AMINO-BENZO’ B! THIOPHENE-2-CARBOXYLIC ACID DERIVATIVES AS INTERIEUKIN-4 GENE EXPRESSION INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2003-11-06 WO disclosed
WO-2003091214-A1 3-SUBSTITUTED AMINO-1H-INDOLE-2-CARBOXYLIC ACID AND 3-SUBSTITUTED AMINO-BENZO AVENTIS PHARMACEUTICALS INC. (US) 2003-11-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040010029-A1 Indole derivatives as interleukin -4 gene expression inhibitors IL4, IL4I1, STAT4 ROCK2 1653/4885ABL1 637/4885ROCK1 1537/4885
US-20040006123-A1 Interleukin-4 gene expression inhibitors IL4, STAT4, BCL6 ROCK2 1310/4885ABL1 229/4885ROCK1 946/4885
US-20080132481-A1 INTERLEUKIN-4 GENE EXPRESSION INHIBITORS IL4, STAT4, STAT6 ROCK2 1501/4885ABL1 202/4885ROCK1 1218/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.