SCHEMBL3603114

SCHEMBL3603114

CC1(C(=O)O)COc2cccc(C#N)c21

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.35
RAB9A P51151 5/20 0.35
KMT2A Q03164 1/20 0.35
NOTUM Q6P988 1/20 0.35
GAA P10253 3/20 0.34
KDM4E B2RXH2 2/20 0.34
CXCR2 P25025 1/20 0.34
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 2/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SLC22A12 Q96S37 1/20 0.32

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
SCHEMBL3621196 0.79 CYP2D6 (0.32)
SCHEMBL3517906 0.68 PKM (0.41) KMT2ANOTUMGAAKDM4EMAPK1
SCHEMBL3611955 0.67 ATM (0.36) KMT2AGAAKDM4EL3MBTL1ALDH1A1
SCHEMBL24440189 0.63 P2RX7 (0.35) NPC1RAB9AKMT2ANOTUMMAPK1
SCHEMBL31445862 0.62 PDE4D (0.43) NPC1RAB9AKMT2AGAAKDM4E
SCHEMBL24440171 0.62 MAPK1 (0.33) MAPK1
SCHEMBL31192059 0.62 HCAR3 (0.35) NPC1RAB9ANOTUMMAPK1ALDH1A1
SCHEMBL31445382 0.62 AKR1C3 (0.36) NOTUMSLC22A12
SCHEMBL31446619 0.62 KDM4E (0.37) KMT2ANOTUMGAAKDM4EALDH1A1
SCHEMBL1986826 0.62 ALOX15 (0.44) NPC1RAB9ANOTUMGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137298-A1 Biaryl Sulfonamides and Methods for Using Same WYETH (US) 2010-06-03 US disclosed
EP-1692124-B1 BIARYL SULFONAMIDES AS MMP INHIBITORS WYETH CORP (US) 2008-10-15 EP disclosed
US-7420001-B2 Biaryl sulfonamides and methods for using same WYETH (US) 2008-09-02 US disclosed
EP-1692124-A1 BIARYL SULFONAMIDES AS MMP INHIBITORS Wyeth (US) 2006-08-23 EP disclosed
WO-2005061477-A1 BIARYL SULFONAMIDES AS MMP INHIBITORS WYETH (US) 2005-07-07 WO disclosed
US-20050143422-A1 Biaryl sulfonamides and methods for using same WYETH (US) 2005-06-30 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-20100137298-A1 Biaryl Sulfonamides and Methods for Using Same STS, MMP3, AADAC NPC1 2605/4885RAB9A 3864/4885KMT2A 694/4885
US-20050143422-A1 Biaryl sulfonamides and methods for using same STS, MMP3, AADAC NPC1 2605/4885RAB9A 3864/4885KMT2A 694/4885

“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.