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Sugi Predict / Compounds / SCHEMBL4814014

SCHEMBL4814014

SCHEMBL4814014

COC(=O)c1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.48
▸ NR4A2 P43354 2/20 0.43
▸ SLC6A4 P31645 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ HCRTR1 O43613 1/20 0.40
▸ HCRTR2 O43614 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.39
▸ CHEK1 O14757 1/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ LIPE Q05469 1/20 0.38
▸ PLA2G2A P14555 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ PDK2 Q15119 1/20 0.37
▸ UCHL1 P09936 1/20 0.37
▸ MAPT P10636 1/20 0.36

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
SCHEMBL27002497 0.89 ABL1 (0.51) ABL1NR4A2SLC6A4SLC6A3ALDH1A1
SCHEMBL29453642 0.85 UCHL1 (0.47) ALDH1A1KDM4EKMT2ASMN1; SMN2HPGD
SCHEMBL19894134 0.85 UCHL1 (0.47) ALDH1A1KDM4EKMT2ASMN1; SMN2HPGD
SCHEMBL3454613 0.84 KDM4E (0.46) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL1717269 0.84 CYP46A1 (0.43) NR4A2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL257899 0.84 CA12 (0.53) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL27033334 0.84 DGAT1 (0.43) —
SCHEMBL16166586 0.84 CA12 (0.40) ALDH1A1KDM4EKMT2ALIPESMN1; SMN2
SCHEMBL18107886 0.83 CA12 (0.37) ABL1ALDH1A1LMNAKDM4EMEN1
SCHEMBL1586922 0.83 CXCR2 (0.41) SLC6A4SLC6A3ALDH1A1KDM4ERXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024225371-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2024-10-31 — — WO disclosed
US-11472806-B2 Substituted heterocyclic compounds as allosteric modulators of group II metabotropic glutamate receptors DOMAIN THERAPEUTICS (FR) 2022-10-18 — — US disclosed
US-20200140438-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS DOMAIN THERAPEUTICS (FR) 2020-05-07 — — US disclosed
EP-3292124-B1 6H-ISOCHROMENO[3,4-C]PYRIDINES AND BENZO[C][1,7]NAPHTHYRIDIN-6-(5H)-ONES AS ADAPTOR ASSOCIATED KINASE 1 (AAK1) INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-05-22 — — EP disclosed
EP-3292124-B1 6H-ISOCHROMENO[3,4-C]PYRIDINES AND BENZO[C][1,7]NAPHTHYRIDIN-6-(5H)-ONES AS ADAPTOR ASSOCIATED KINASE 1 (AAK1) INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-05-22 — — EP disclosed
US-10174044-B2 Fused pyridines as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-01-08 — — US disclosed
US-10174044-B2 Fused pyridines as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-01-08 — — US disclosed
US-20180141956-A1 FUSED PYRIDINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-24 — — US disclosed
US-20180141956-A1 FUSED PYRIDINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-24 — — US disclosed
US-20180141956-A1 FUSED PYRIDINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-24 — — US disclosed
EP-3292124-A2 FUSED PYRIDINES AS ADAPTOR ASSOCIATED KINASE 1 (AAK1) INHIBITORS Bristol-Myers Squibb Company (US) 2018-03-14 — — EP disclosed
US-7417063-B2 Bicyclic heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 — — US disclosed
EP-1740538-A4 BICYCLIC HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2007-12-19 — — EP disclosed
EP-1740538-A2 BICYCLIC HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-01-10 — — EP disclosed
WO-2005099709-A2 BICYCLIC HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-10-27 — — WO disclosed
US-20050228000-A1 of the coagulation cascade or contact activation system: thrombin, factor Xa, factor XIa, factor IXa, factor VIIa or plasma kallikrein; e.g. -(6-carbamimidoyl-1H-indol-3-ylmethyl)-4-methoxy-biphenyl-2-carboxylic acid; anticoagulant, antiinflammatory agent BRISTOL-MYERS SQUIBB COMPANY 2005-10-13 — — 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 (5 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-20200140438-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS GRM3, GRM1, GRM2 ABL1 2880/4885NR4A2 241/4885SLC6A4 562/4885
US-10174044-B2 Fused pyridines as kinase inhibitors AAK1, NCK1, ADCK1 ABL1 112/4885NR4A2 2343/4885SLC6A4 4491/4885
US-20050228000-A1 of the coagulation cascade or contact activation system: thrombin, factor Xa, factor XIa, factor IXa, factor VIIa or plasma kallikrein; e.g. -(6-carbamimidoyl-1H-indol-3-ylmethyl)-4-methoxy-biphenyl-2-carboxylic acid; anticoagulant, antiinflammatory agent F12, F11, F2 ABL1 1497/4885NR4A2 3260/4885SLC6A4 4123/4885
US-11472806-B2 Substituted heterocyclic compounds as allosteric modulators of group II metabotropic glutamate receptors GRM3, GRM1, GRM2 ABL1 2880/4885NR4A2 241/4885SLC6A4 562/4885
US-20180141956-A1 FUSED PYRIDINES AS KINASE INHIBITORS AAK1, NCK1, ADCK1 ABL1 112/4885NR4A2 2343/4885SLC6A4 4491/4885

“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.