SCHEMBL1800550

SCHEMBL1800550

Cc1coc(C)c1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
NOTUM Q6P988 2/20 0.40
CYP3A4 P08684 2/20 0.39
ACHE P22303 1/20 0.39
ALDH1A1 P00352 6/20 0.36
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALOX5 P09917 1/20 0.36
ALOX12 P18054 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
USP2 O75604 2/20 0.35
TP53 P04637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LDHA P00338 1/20 0.35
LDHB P07195 1/20 0.35
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL6966557 0.81 RAB9A (0.42) NPC1RAB9AALDH1A1MAPK1SMN1; SMN2
SCHEMBL183194 0.81 RAB9A (0.42) NPC1RAB9ACYP3A4ALDH1A1MAPK1
SCHEMBL6650651 0.79 POLB (0.50) NPC1RAB9AALDH1A1MAPK1SMN1; SMN2
SCHEMBL2866739 0.79 CYP1A2 (0.42) NPC1RAB9ANOTUMCYP3A4ACHE
SCHEMBL473470 0.79 KDM4E (0.46) NOTUMALDH1A1LDHAMAPTHPGD
SCHEMBL7321755 0.79 RAB9A (0.41) NPC1RAB9AALDH1A1MAPK1SMN1; SMN2
SCHEMBL8930012 0.79 RAB9A (0.41) NPC1RAB9AALDH1A1MAPK1SMN1; SMN2
SCHEMBL19769133 0.77 FFAR1 (0.42) NPC1RAB9ACYP3A4ALDH1A1MAPK1
SCHEMBL11696604 0.77 ALDH1A1 (0.42) NPC1RAB9ANOTUMCYP3A4ACHE
SCHEMBL10846303 0.76 ALDH1A1 (0.48) NPC1RAB9ACYP3A4ACHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108383828-A 1 new, 2- as chemokine receptor modulators is bis--sulfamide derivative 阿勒根公司 2018-08-10 CN claimed
EP-2955173-B1 1,2-BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2017-10-04 EP claimed
US-9603834-B2 1,2- bis-sulfonamide derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2017-03-28 US claimed
US-20160228407-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. 2016-08-11 US claimed
EP-2955173-A1 NOVEL 1,2-BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2015-12-16 EP claimed
EP-2651901-B1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2015-05-27 EP claimed
US-20140221351-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2014-08-07 US claimed
US-20140051682-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2014-02-20 US claimed
CN-103384662-A Novel 1, 2-bis-sulfonamide derivatives as chemokine receptor modulators ALLERGAN INC 2013-11-06 CN claimed
EP-2651901-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS Allergan, Inc. (US) 2013-10-23 EP claimed
US-20120157444-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-21 US claimed
WO-2012082633-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-21 WO claimed
US-20050256104-A1 substituted 1,1,4-1l6-trioxo[1,2]thiazepan-4-ylamide-derived protease inhibitors which inhibit the likes of cathepsin K; treating osteoporosis, osteo- and rheumatoid arthritis and periodontal disease; inhibiting excessive cartilage or matrix degradation SMITHKLINE BEECHAM CORPORATION 2005-11-17 US claimed
US-20040002487-A1 Protease inhibitors MARQUIS ROBERT WELLS (US) 2004-01-01 US claimed
US-20030225061-A1 Protease inhibitors MARQUIS ROBERT WELLS (US) 2003-12-04 US claimed
CN-1444481-A Protease inhibitors SMITHKLINE BEECHAM CORP (US) 2003-09-24 CN claimed
US-20030144175-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2003-07-31 US claimed
US-20020147188-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-10-10 US claimed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-3950171-A THERMOPLASTIC RESIN DIAZONIUM SALT MITA INDUSTRIAL CO. LTD. (JA) 1976-04-13 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 (9 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-20160228407-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CXCR2, CCR2, CX3CR1 NPC1 2440/4885RAB9A 1158/4885NOTUM 4390/4885
US-20030225061-A1 Protease inhibitors CTSK, MMP13, CTSZ NPC1 1211/4885RAB9A 1322/4885NOTUM 2808/4885
US-20140051682-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CXCR2, CCR2, CX3CR1 NPC1 2440/4885RAB9A 1158/4885NOTUM 4390/4885
US-20050256104-A1 substituted 1,1,4-1l6-trioxo[1,2]thiazepan-4-ylamide-derived protease inhibitors which inhibit the likes of cathepsin K; treating osteoporosis, osteo- and rheumatoid arthritis and periodontal disease; inhibiting excessive cartilage or matrix degradation CTSK, CTSZ, CTSE NPC1 1557/4885RAB9A 2214/4885NOTUM 3302/4885
US-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ NPC1 1211/4885RAB9A 1322/4885NOTUM 2808/4885
US-20140221351-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CXCR2, CCR2, CX3CR1 NPC1 2440/4885RAB9A 1158/4885NOTUM 4390/4885
US-20120157444-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CXCR2, CCR2, CX3CR1 NPC1 2440/4885RAB9A 1158/4885NOTUM 4390/4885
US-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ NPC1 1211/4885RAB9A 1322/4885NOTUM 2808/4885
US-20030144175-A1 Protease inhibitors CTSK, MMP13, CTSZ NPC1 1211/4885RAB9A 1322/4885NOTUM 2808/4885

“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.