SCHEMBL7186907

SCHEMBL7186907

CS(=O)(=O)c1nccn1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.44
CYP1A2 P05177 4/20 0.44
CYP2D6 P10635 4/20 0.44
CYP2C9 P11712 4/20 0.44
CYP2C19 P33261 4/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
ALOX15B O15296 2/20 0.44
GAA P10253 1/20 0.44
FDPS P14324 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
PTGS2 P35354 2/20 0.39
ALDH1A1 P00352 3/20 0.39
POLB P06746 1/20 0.39
CYP2E1 P05181 1/20 0.39
CYP2A6 P11509 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NR1I2 O75469 1/20 0.37

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
SCHEMBL12362850 0.83 ENPP2 (0.41) CYP3A4PTGS2ALDH1A1NR1I2HSD11B1
SCHEMBL5323928 0.82 FDPS (0.42) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL26964192 0.82 ALDH1A1 (0.42) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL28459041 0.81 HTR6 (0.43) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL8811494 0.74 PTGS2 (0.54) PTGS2HSD11B1
SCHEMBL12362841 0.72 ESR1 (0.42) NR1I2HSD11B1
SCHEMBL7290958 0.72 PDE3B (0.51) CYP1A2CYP2C9CYP2C19SMN1; SMN2MEN1
SCHEMBL19071797 0.71 KMT2A (0.42) SMN1; SMN2RAB9APTGS2ALDH1A1MEN1
SCHEMBL8811591 0.71 PTGS2 (0.56) PTGS2
SCHEMBL2336960 0.71 CYP3A4 (0.69) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1435956-A2 THERAPEUTIC COMBINATIONS FOR CARDIOVASCULAR AND INFLAMMATORY INDICATIONS Pharmacia Corporation (US) 2004-07-14 EP claimed
WO-2002078626-A2 THERAPEUTIC COMBINATIONS FOR CARDIOVASCULAR AND INFLAMMATORY INDICATIONS PHARMACIA CORPORATION (US) 2002-10-10 WO claimed
US-20080146808-A1 AZABICYCLO-OCTANE INHIBITORS OF IAP GENENTECH, INC. (US) 2008-06-19 US disclosed
US-20080146808-A1 AZABICYCLO-OCTANE INHIBITORS OF IAP GENENTECH, INC. (US) 2008-06-19 US disclosed
US-7345081-B2 Azabicyclo-octane inhibitors of IAP GENENTECH, INC. (US) 2008-03-18 US disclosed
US-7345081-B2 Azabicyclo-octane inhibitors of IAP GENENTECH, INC. (US) 2008-03-18 US disclosed
EP-0941080-A2 METHOD OF USING CYCLOOXYGENASE-2 INHIBITORS AS ANTI-ANGIOGENIC AGENTS G.D. SEARLE & CO. (US) 1999-09-15 EP disclosed
WO-1998022101-A2 METHOD OF USING CYCLOOXYGENASE-2 INHIBITORS AS ANTI-ANGIOGENIC AGENTS G.D. SEARLE & CO. (US) 1998-05-28 WO disclosed
EP-0772600-A1 1,2-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
WO-1996003388-A1 1,2-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 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 (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-20080146808-A1 AZABICYCLO-OCTANE INHIBITORS OF IAP XIAP, BIRC3, BIRC2 CYP3A4 3764/4885CYP1A2 2433/4885CYP2D6 3201/4885

“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.