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SCHEMBL513258

SCHEMBL513258

COc1ccc2cc(B(O)O)n(C(=O)OC(C)(C)C)c2c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 9/20 0.45
▸ UBA6 A0AVT1 1/20 0.39
▸ CCR9 P51686 1/20 0.39
▸ CA12 O43570 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ MTNR1A P48039 1/20 0.37
▸ MTNR1B P49286 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CA2 P00918 1/20 0.36
▸ STS P08842 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NR1H3 Q13133 1/20 0.35
▸ OXER1 Q8TDS5 1/20 0.35

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
SCHEMBL29953334 1.00 NR1H2 (0.45) NR1H2UBA6CCR9CA12CA9
SCHEMBL1497620 0.90 NR1H2 (0.46) NR1H2CA12CA9ALDH1A1STS
SCHEMBL29955030 0.90 NR1H2 (0.46) NR1H2CA12CA9ALDH1A1STS
SCHEMBL1030670 0.86 KCNQ3 (0.39) NR1H2CA12CA9
SCHEMBL12996827 0.86 NR1H2 (0.43) NR1H2UBA6CA12CA9ALDH1A1
SCHEMBL22272339 0.86 NR1H2 (0.41) NR1H2UBA6CCR9MTNR1AMTNR1B
SCHEMBL12829958 0.84 NR1H2 (0.47) NR1H2CA12CA9CA2NR1H3
SCHEMBL29764547 0.84 CA12 (0.41) NR1H2UBA6CA12CA9NR1H3
SCHEMBL1622774 0.84 CA12 (0.41) NR1H2UBA6CA12CA9NR1H3
SCHEMBL29955923 0.84 NR1H2 (0.43) NR1H2CCR9CA12CA9NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12473304-B2 Heterocyclic PAD4 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-11-18 — — US disclosed
CN-115348961-B Heterocyclic PAD4 inhibitors 百时美施贵宝公司 2025-03-04 — — CN disclosed
US-20230212144-A1 5-MEMBERED HETEROARYL DERIVATIVE CONTAINING AT LEAST ONE N, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING MENTAL DISORDERS, CONTAINING SAME AS ACTIVE INGREDIENT TRINEURO (KR) 2023-07-06 — — US disclosed
US-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-06-01 — — US disclosed
CN-111225915-B Imidazopyridine compounds as PAD inhibitors 朱比兰特埃皮帕德有限公司 2023-03-07 — — CN disclosed
EP-3697785-B1 IMIDAZO-PYRIDINE COMPOUNDS AS PAD INHIBITORS Jubilant Epipad LLC (US) 2022-12-28 — — EP disclosed
EP-3697785-B1 IMIDAZO-PYRIDINE COMPOUNDS AS PAD INHIBITORS Jubilant Epipad LLC (US) 2022-12-28 — — EP disclosed
EP-4103559-A1 HETEROCYCLIC PAD4 INHIBITORS Bristol-Myers Squibb Company (US) 2022-12-21 — — EP disclosed
CN-115348961-A Heterocyclic PAD4 inhibitors 百时美施贵宝公司 2022-11-15 — — CN disclosed
US-11426412-B2 Imidazo-pyridine compounds as PAD inhibitors Jubilant Epipad LLC (US) 2022-08-30 — — US disclosed
WO-2007147874-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB (PUBL) (SE) 2007-12-27 — — WO disclosed
US-20070299069-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 — — US disclosed
US-20070299069-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 — — US disclosed
US-20070299069-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 — — US disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 — — WO disclosed
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 — — WO disclosed
EP-1771169-A1 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2007-04-11 — — EP disclosed
US-20060223863-A1 Methods for treating Hepatitis C KARP GARY M 2006-10-05 — — US disclosed
US-20060189606-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2006-08-24 — — US disclosed
WO-2006019831-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2006-02-23 — — 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-12473304-B2 Heterocyclic PAD4 inhibitors PADI6, PADI4, PADI1 NR1H2 1257/4885UBA6 714/4885CCR9 1577/4885
US-11426412-B2 Imidazo-pyridine compounds as PAD inhibitors PADI4, PADI1, PADI2 NR1H2 2312/4885UBA6 3943/4885CCR9 133/4885
US-20060189606-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS NR1H2 96/4885UBA6 3305/4885CCR9 242/4885
US-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS PADI4, PADI2, PADI6 NR1H2 2358/4885UBA6 1765/4885CCR9 2099/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS NR1H2 96/4885UBA6 3305/4885CCR9 242/4885
US-20060223863-A1 Methods for treating Hepatitis C OAT, HAVCR2, HCCS NR1H2 288/4885UBA6 2594/4885CCR9 2354/4885
US-20230212144-A1 5-MEMBERED HETEROARYL DERIVATIVE CONTAINING AT LEAST ONE N, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING MENTAL DISORDERS, CONTAINING SAME AS ACTIVE INGREDIENT HTR5A, HTR2C, TPH1 NR1H2 1642/4885UBA6 1459/4885CCR9 4866/4885

“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.