SCHEMBL4632230

SCHEMBL4632230

Cc1ccc(CCC(=O)O)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
PRNP P04156 1/20 0.47
RECQL P46063 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
RPS6KB2 Q9UBS0 1/20 0.45
DAO P14920 1/20 0.45
POLB P06746 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
FFAR1 O14842 3/20 0.45
PRMT6 Q96LA8 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KMT2A Q03164 1/20 0.43
KEAP1 Q14145 1/20 0.42
RIPK1 Q13546 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL18160153 0.89 ALDH1A1 (0.57) NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL9169334 0.85 RPS6KB2 (0.51) SMN1; SMN2L3MBTL1ALDH1A1LMNAPRNP
SCHEMBL9372873 0.79 RPS6KB2 (0.52) NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL1260565 0.79 KMT2A (0.50) L3MBTL1ALDH1A1RECQLRPS6KB2DAO
SCHEMBL11422123 0.78 CYP4F2 (0.51) NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL23665620 0.78 PRMT6 (0.58) NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL16564107 0.78 HPGD (0.49) L3MBTL1ALDH1A1LMNAPRNPRECQL
SCHEMBL8101407 0.77 NPC1 (0.40) NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL2330404 0.76 RPS6KB2 (0.49) L3MBTL1ALDH1A1LMNAPRNPRECQL
SCHEMBL4388131 0.76 FFAR1 (0.60) RAB9ASMN1; SMN2L3MBTL1ALDH1A1LMNA

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11332462-B2 Heteroaryl compounds and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2022-05-17 US disclosed
US-11332462-B2 Heteroaryl compounds and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2022-05-17 US disclosed
US-20200277286-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2020-09-03 US disclosed
US-20200277286-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2020-09-03 US disclosed
US-10556890-B2 Heteroaryl compounds and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2020-02-11 US disclosed
US-10556890-B2 Heteroaryl compounds and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2020-02-11 US disclosed
EP-3237547-B1 DIRECT DYES AND COMPOSITION COMPRISING THE DYES KAO GERMANY GMBH (DE) 2019-03-20 EP disclosed
US-10196520-B2 Direct dyes and composition comprising the dyes KAO GERMANY GMBH (DE) 2019-02-05 US disclosed
US-10189825-B2 Heteroaryl compounds and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2019-01-29 US disclosed
US-10189825-B2 Heteroaryl compounds and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2019-01-29 US disclosed
US-7807670-B2 Inhibitors of papilloma virus BOEHRINGER INGELHEIM CANADA LTD. (CA) 2010-10-05 US disclosed
US-7807670-B2 Inhibitors of papilloma virus BOEHRINGER INGELHEIM CANADA LTD. (CA) 2010-10-05 US disclosed
US-20100041649-A1 INHIBITORS OF PAPILLOMA VIRUS YOAKIM CHRISTIANE 2010-02-18 US disclosed
US-20100041649-A1 INHIBITORS OF PAPILLOMA VIRUS YOAKIM CHRISTIANE 2010-02-18 US disclosed
US-7528167-B2 Inhibitors of papilloma virus BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-05-05 US disclosed
US-7528167-B2 Inhibitors of papilloma virus BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-05-05 US disclosed
EP-1924546-A1 CONFORMATIONALLY CONSTRAINED 3- (4-HYDROXY-PHENYL) - SUBSTITUTED-PROPANOIC ACIDS USEFUL FOR TREATING METABOLIC DISORDERS Amgen, Inc (US) 2008-05-28 EP disclosed
WO-2007033002-A1 CONFORMATIONALLY CONSTRAINED 3- (4-HYDROXY-PHENYL) - SUBSTITUTED-PROPANOIC ACIDS USEFUL FOR TREATING METABOLIC DISORDERS AMGEN INC. (US) 2007-03-22 WO disclosed
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO disclosed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 US 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 (7 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-20200277286-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF COMT, GRIN2C, TPMT NPC1 160/4885RAB9A 554/4885SMN1; SMN2 1690/4885
US-10556890-B2 Heteroaryl compounds and methods of use thereof COMT, GRIN2C, TPMT NPC1 160/4885RAB9A 554/4885SMN1; SMN2 1690/4885
US-11332462-B2 Heteroaryl compounds and methods of use thereof COMT, GRIN2C, TPMT NPC1 160/4885RAB9A 554/4885SMN1; SMN2 1690/4885
US-10189825-B2 Heteroaryl compounds and methods of use thereof COMT, GRIN2C, TPMT NPC1 160/4885RAB9A 554/4885SMN1; SMN2 1690/4885
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 NPC1 4197/4885RAB9A 20/4885SMN1; SMN2 3894/4885
US-10196520-B2 Direct dyes and composition comprising the dyes KRT18, TUBB4A, BRDT NPC1 4503/4885RAB9A 4582/4885SMN1; SMN2 4877/4885
US-20100041649-A1 INHIBITORS OF PAPILLOMA VIRUS REV1, CDKN1A, RB1 NPC1 1799/4885RAB9A 2673/4885SMN1; SMN2 4833/4885

“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.