SCHEMBL4944695

SCHEMBL4944695

CS(=O)(=O)O.N=C(N)NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1

nearest known ligand 0.62

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 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.62
CYP2C19 P33261 1/20 0.62
SLC9A1 P19634 1/20 0.57
KDM4E B2RXH2 4/20 0.54
KMT2A Q03164 3/20 0.54
HPGD P15428 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 4/20 0.52
MEN1 O00255 2/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CHRNA7 P36544 1/20 0.45

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
SCHEMBL4937176 0.83 SLC9A1 (0.59) CYP1A2CYP2C19SLC9A1KDM4EKMT2A
SCHEMBL4944299 0.82 S1PR4 (0.51) SLC9A1KDM4EKMT2AHPGDSMN1; SMN2
SCHEMBL4942499 0.81 MEN1 (0.53) SLC9A1KDM4EKMT2ASMN1; SMN2ALDH1A1
SCHEMBL4944763 0.80 MAPKAPK2 (0.52) CYP1A2CYP2C19SLC9A1KDM4EHPGD
SCHEMBL9877550 0.80 CYP1A2 (0.71) CYP1A2CYP2C19SLC9A1KDM4EKMT2A
SCHEMBL4936806 0.79 SLC9A1 (0.61) CYP1A2CYP2C19SLC9A1KDM4EKMT2A
SCHEMBL4943798 0.79 SLC9A1 (0.61) CYP1A2CYP2C19SLC9A1KDM4EKMT2A
SCHEMBL19657014 0.78 SLC9A1 (0.66) CYP1A2CYP2C19SLC9A1KDM4EKMT2A
SCHEMBL5842720 0.78 SLC9A1 (0.74) CYP1A2CYP2C19SLC9A1KDM4EKMT2A
SCHEMBL4936883 0.78 SMN1; SMN2 (0.61) SLC9A1KDM4EHPGDSMN1; SMN2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351843-B2 Furancarbonylguanidine derivatives, their preparation and pharmaceutical compositions containing them KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-04-01 US disclosed
US-20070299131-A1 Furancarbonylguanidine Derivatives, Their Preparation and Pharmaceutical Compositions Containing Them KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2007-12-27 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 (1 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-20070299131-A1 Furancarbonylguanidine Derivatives, Their Preparation and Pharmaceutical Compositions Containing Them SLC9A1, NHERF1, SLC5A1 CYP1A2 1319/4885CYP2C19 403/4885SLC9A1 1/4885

“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.