SCHEMBL4897713

SCHEMBL4897713

Cc1cc(S(=O)(=O)NCCc2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)cc(C(=O)O)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 2/20 0.49
ERBB4 Q15303 2/20 0.49
ADAMTS4 O75173 1/20 0.47
MMP13 P45452 1/20 0.47
MAOB P27338 3/20 0.45
AR P10275 1/20 0.45
TBXA2R P21731 1/20 0.44
TBXAS1 P24557 1/20 0.44
PPARA Q07869 2/20 0.43
AKR1C3 P42330 1/20 0.43
BCL2L1 Q07817 1/20 0.43
MCL1 Q07820 1/20 0.43
PPARD Q03181 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP14 P50281 1/20 0.41
ADAM17 P78536 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
SCHEMBL4894408 0.92 ERBB2 (0.51) ERBB2ERBB4ADAMTS4MMP13MAOB
SCHEMBL4906290 0.92 LTA4H (0.47) ERBB2ERBB4TBXA2RTBXAS1PPARA
SCHEMBL4905297 0.90 ADAMTS4 (0.50) ERBB2ERBB4ADAMTS4MMP13MAOB
SCHEMBL4897615 0.90 ALDH1A1 (0.51) ERBB2ERBB4ADAMTS4TBXA2RTBXAS1
SCHEMBL4897625 0.88 KDM1A (0.46) ERBB2ERBB4AKR1C3ALDH1A1
SCHEMBL4906724 0.87 MMP2 (0.50) ERBB2ERBB4TBXA2RTBXAS1AKR1C3
SCHEMBL4900998 0.86 TDP1 (0.47) ALDH1A1
SCHEMBL4906488 0.86 MAOA (0.46) ERBB2ERBB4MAOBTBXA2RTBXAS1
SCHEMBL4900950 0.85 ADAMTS4 (0.49) ERBB2ERBB4ADAMTS4MMP13MAOB
SCHEMBL4899749 0.84 ERBB2 (0.50) ERBB2ERBB4ADAMTS4MMP13MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PFIZER INC. 2008-04-17 US disclosed
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PFIZER INC. 2008-04-17 US disclosed
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PFIZER INC. 2008-04-17 US disclosed
US-20050288340-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PFIZER INC 2005-12-29 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 (2 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-20050288340-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PPARA, PPARG, PPARD ERBB2 2776/4885ERBB4 3289/4885ADAMTS4 4338/4885
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PPARA, PPARG, PPARD ERBB2 2776/4885ERBB4 3289/4885ADAMTS4 4338/4885

“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.