SCHEMBL307126

SCHEMBL307126

COc1ccccc1C(=O)N(C)OC

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.51
ABCG2 Q9UNQ0 1/20 0.51
PDE2A O00408 1/20 0.50
NPC1 O15118 4/20 0.49
RAB9A P51151 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
STAT3 P40763 1/20 0.49
HTT P42858 2/20 0.47
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CDK4 P11802 1/20 0.46
CCND1 P24385 1/20 0.46
HPGD P15428 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
SCHEMBL2541558 0.85 CTSD (0.55) CTSDABCG2PDE2ANPC1RAB9A
SCHEMBL4804041 0.84 KAT6A (0.47) CTSDABCG2NPC1RAB9AL3MBTL1
SCHEMBL8577211 0.84 RAB9A (0.52) NPC1RAB9AL3MBTL1HTTSMN1; SMN2
SCHEMBL13265349 0.84 ABCB1 (0.46) ABCG2NPC1RAB9AKCNK3KCNK9
SCHEMBL4098911 0.84 TAS1R3 (0.49) ABCG2HPGD
SCHEMBL24634050 0.83 HTT (0.53) CTSDABCG2PDE2ANPC1RAB9A
SCHEMBL8045140 0.83 L3MBTL1 (0.39) CTSDABCG2PDE2ANPC1RAB9A
SCHEMBL2481460 0.83 LPAR5 (0.42) CTSDABCG2PDE2ANPC1RAB9A
SCHEMBL305877 0.83 HCRTR1 (0.54) L3MBTL1HTTKCNK3KCNK9SMN1; SMN2
SCHEMBL11474623 0.83 MAPT (0.56) RAB9AL3MBTL1HTTSMN1; SMN2HPGD

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2022-09-06 US disclosed
US-20200147066-A1 Heteroaryl Sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. 2020-05-14 US disclosed
US-20190167651-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX, INC. 2019-06-06 US disclosed
US-10206912-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2019-02-19 US disclosed
US-20170095458-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2017-04-06 US disclosed
US-20140031348-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX INC (US) 2014-01-30 US disclosed
EP-2354126-B1 Heteroaryl sulfonamides and CCR2 CHEMOCENTRYX INC (US) 2013-09-25 EP disclosed
US-8519135-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2013-08-27 US disclosed
EP-2018364-B1 THERAPEUTIC FLUOROETHYL UREAS ALLERGAN INC (US) 2013-08-21 EP disclosed
EP-2474532-A1 Heteroaryl sulfonamides and CCR2 ChemoCentryx, Inc. (US) 2012-07-11 EP disclosed
EP-1308436-A1 CALCIUM RECEPTOR ANTAGONISTS JAPAN TOBACCO INC. (JP) 2003-05-07 EP disclosed
US-20030064997-A1 Novel compounds SMITHKLINE BEECHAM CORPORATION 2003-04-03 US disclosed
US-6268370-B1 CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION 2001-07-31 US disclosed
US-5916891-A CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1999-06-29 US disclosed
US-5739336-A SELECTIVE 5-HYDROXYTRYPTAMINE-2C RECEPTOR ANTAGONISTS SYNTEX (U.S.A.) INC. (US) 1998-04-14 US disclosed
US-5686455-A Imidazole derivatives and their use as cytokine inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1997-11-11 US disclosed
US-5656644-A CYTOKINE SUPPRESSORS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-12 US disclosed
WO-1997000872-A1 1,3,8-TRIAZA- AND 3,8-DIAZA-1-OXASPIRO(4,5)DECANE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 1997-01-09 WO disclosed
EP-0623126-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1994-11-09 EP disclosed
WO-1993014081-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-07-22 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 (7 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-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 CTSD 1134/4885ABCG2 328/4885PDE2A 4424/4885
US-10206912-B2 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 CTSD 1134/4885ABCG2 328/4885PDE2A 4424/4885
US-20030064997-A1 Novel compounds BRD4, BRDT, HDAC6 CTSD 2126/4885ABCG2 7/4885PDE2A 843/4885
US-20140031348-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 CTSD 1134/4885ABCG2 328/4885PDE2A 4424/4885
US-20170095458-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 CTSD 1134/4885ABCG2 328/4885PDE2A 4424/4885
US-20200147066-A1 Heteroaryl Sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 CTSD 1134/4885ABCG2 328/4885PDE2A 4424/4885
US-20190167651-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 CTSD 1134/4885ABCG2 328/4885PDE2A 4424/4885

“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.