SCHEMBL3877039

SCHEMBL3877039

COc1ccc(-c2ccc(CC(=O)O)s2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.61
APP P05067 6/20 0.58
KDM4E B2RXH2 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 3/20 0.52
HPGD P15428 3/20 0.52
NPC1 O15118 1/20 0.52
GLA P06280 1/20 0.52
GAA P10253 1/20 0.52
PTGDR2 Q9Y5Y4 4/20 0.51
LMNA P02545 1/20 0.50
HSD17B2 P37059 1/20 0.49
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
PDE3A Q14432 1/20 0.48
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP12 P39900 1/20 0.47
RPS6KB2 Q9UBS0 1/20 0.47

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
SCHEMBL5569520 0.86 APP (0.56) MAPTAPPKDM4ESMN1; SMN2ALDH1A1
SCHEMBL31398833 0.85 HDAC6 (0.56) MAPTALDH1A1HPGDLMNAHSD17B2
SCHEMBL26038966 0.82 MAPT (0.51) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL5263932 0.80 APP (0.55) APPHPGDHSD17B2RPS6KB2
SCHEMBL5663464 0.80 ACACA (0.60) MAPTALDH1A1HPGDGAALMNA
SCHEMBL11083765 0.79 HPGD (0.58) MAPTKDM4EALDH1A1HPGDPTGDR2
SCHEMBL20772791 0.79 RAB9A (0.47) MAPTKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL10331951 0.78 APP (0.68) MAPTAPPKDM4ESMN1; SMN2ALDH1A1
SCHEMBL28992994 0.78 APP (0.61) MAPTAPPKDM4ESMN1; SMN2ALDH1A1
SCHEMBL18885204 0.77 APP (0.66) MAPTAPPKDM4ESMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11739082-B2 Thiophene compounds, process for synthesis and use thereof AHAMMUNE BIOSCIENCES PRIVATE LIMITED (IN) 2023-08-29 US disclosed
US-11739082-B2 Thiophene compounds, process for synthesis and use thereof AHAMMUNE BIOSCIENCES PRIVATE LIMITED (IN) 2023-08-29 US disclosed
US-20200255417-A1 NOVEL THIOPHENE COMPOUNDS, PROCESS FOR SYNTHESIS AND USE THEREOF AHAMMUNE BIOSCIENCES PRIVATE LIMITED (IN) 2020-08-13 US disclosed
US-7541368-B2 1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-{3-[1-(1-methyl-cyclopropanecarbonyl)-piperidin-4-ylmethyl]-phenyl}-urea; use in the treatment of disease states capable of being modulated by the inhibition of p38 kinase and tumor necrosis factor (TNF) AVENTIS PHARMACEUTICALS INC. (US) 2009-06-02 US disclosed
EP-1622610-B1 1-(2H-PYRAZOL-3-YL)-3-{4-[1-(BENZOYL)-PIPERIDIN-4-YLMETHYL]-PHENYL}-UREA DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS AVENTIS PHARMA INC (US) 2006-12-20 EP disclosed
US-20060063796-A1 Pyrazoles as inhibitors of tumor necrosis factor AVENTIS PHARMACEUTICALS INC. (US) 2006-03-23 US disclosed
EP-1622610-A1 1-(2H-PYRAZOL-3-YL)-3- 4-[1-(BENZOYL)-PIPERIDIN-4-YLMETHYL]-PHENYL -UREA DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS Aventis Pharmaceuticals Inc. (US) 2006-02-08 EP disclosed
WO-2004100946-A1 1- (2H-PYRAZOL -3-YL) -3YL) {4-`1- (BENZOYL) -PIPERIDIN-4-YLMETHYL!-PHENYL}-UREA DERIVATIVES AND RELATED COMPOUNDS AS INHBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF IMFLAMMATIONS AVENTIS PHARMACEUTICALS INC. (US) 2004-11-25 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-11739082-B2 Thiophene compounds, process for synthesis and use thereof TPMT, TST, SSB MAPT 42/4885APP 938/4885KDM4E 2581/4885
US-20060063796-A1 Pyrazoles as inhibitors of tumor necrosis factor TNF, LITAF, MAPK1 MAPT 1770/4885APP 1773/4885KDM4E 3779/4885
US-20200255417-A1 NOVEL THIOPHENE COMPOUNDS, PROCESS FOR SYNTHESIS AND USE THEREOF TPMT, TST, UACA MAPT 36/4885APP 1154/4885KDM4E 2404/4885

“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.