SCHEMBL3529491

SCHEMBL3529491

CC(C)(C)OC(=O)N1CCC(c2ccc(Cl)c(F)c2)(C(C#N)C(=O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.43
JAK2 O60674 8/20 0.41
JAK1 P23458 8/20 0.41
TSHR P16473 2/20 0.40
ALOX15 P16050 1/20 0.40
ATM Q13315 1/20 0.40
CYP3A4 P08684 2/20 0.39
CYP3A5 P20815 2/20 0.39
RORC P51449 1/20 0.38
TACR1 P25103 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38

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
SCHEMBL30479343 1.00 GPR119 (0.43) GPR119JAK2JAK1TSHRALOX15
SCHEMBL3530140 0.93 GPR119 (0.43) GPR119JAK2JAK1TSHRALOX15
SCHEMBL30479378 0.91 GPR119 (0.43) GPR119JAK2JAK1CYP3A4CYP3A5
SCHEMBL21680272 0.91 GPR119 (0.43) GPR119JAK2JAK1CYP3A4CYP3A5
SCHEMBL3525497 0.89 GPR119 (0.41) GPR119JAK2JAK1CYP3A4CYP3A5
SCHEMBL16553939 0.86 MEN1 (0.46) JAK2JAK1TSHRALOX15ATM
SCHEMBL13543115 0.84 JAK2 (0.46) GPR119JAK2JAK1TSHRALOX15
SCHEMBL3523618 0.83 JAK2 (0.42) GPR119JAK2JAK1TSHRALOX15
SCHEMBL3528504 0.83 NPC1 (0.47) JAK2JAK1TSHRALOX15ATM
SCHEMBL3526813 0.83 TSHR (0.44) GPR119JAK2JAK1TSHRALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110088093-B Acyl sulfonamide nav1.7 inhibitors 百时美施贵宝公司 2023-06-13 CN disclosed
EP-3532462-B1 ACYL SULFONAMIDE NAV1.7 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-10-13 EP disclosed
EP-3532462-B1 ACYL SULFONAMIDE NAV1.7 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-10-13 EP disclosed
US-10836758-B2 Acyl sulfonamide NaV1.7 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-11-17 US disclosed
US-10836758-B2 Acyl sulfonamide NaV1.7 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-11-17 US disclosed
US-20200048240-A1 ACYL SULFONAMIDE NAV1.7 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-02-13 US disclosed
US-20200048240-A1 ACYL SULFONAMIDE NAV1.7 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-02-13 US disclosed
WO-2018081384-A1 ACYL SULFONAMIDE NAV1.7 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-03 WO disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-20060229336-A1 Ccr5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORPORATION 2006-10-12 US disclosed
EP-1569646-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-07 EP disclosed
WO-2004054974-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 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-10836758-B2 Acyl sulfonamide NaV1.7 inhibitors SCN7A, SCN1A, SCN8A GPR119 1901/4885JAK2 3928/4885JAK1 4552/4885
US-20200048240-A1 ACYL SULFONAMIDE NAV1.7 INHIBITORS SCN7A, SCN1A, SCN8A GPR119 1901/4885JAK2 3928/4885JAK1 4552/4885
US-20060229336-A1 Ccr5 antagonists as therapeutic agents CCR5, CCR1, CXCR3 GPR119 120/4885JAK2 2862/4885JAK1 2938/4885

“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.