Sugi Predict

Sugi Predict / Compounds / SCHEMBL41862

SCHEMBL41862

SCHEMBL41862

COc1ccc(B(O)O)c(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 7/20 0.44
▸ ENPP2 Q13822 2/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ PGR P06401 1/20 0.41
▸ AR P10275 1/20 0.41
▸ LIPE Q05469 1/20 0.39
▸ RAB9A P51151 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ TUBB4A P04350 1/20 0.38
▸ TUBB P07437 1/20 0.38
▸ TUBA3C P0DPH7 1/20 0.38
▸ TUBA1B P68363 1/20 0.38
▸ TUBA4A P68366 1/20 0.38
▸ TUBB4B P68371 1/20 0.38
▸ TUBB3 Q13509 1/20 0.38
▸ TUBB2A Q13885 1/20 0.38
▸ TUBB8 Q3ZCM7 1/20 0.38
▸ TUBA3E Q6PEY2 1/20 0.38
▸ TUBA1A Q71U36 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
SCHEMBL29653552 1.00 EPHX2 (0.44) EPHX2ENPP2CA1CA2PGR
SCHEMBL12261025 0.89 L3MBTL1 (0.48) ENPP2PGRARL3MBTL1MAPT
SCHEMBL16105643 0.85 ENPP2 (0.44) EPHX2ENPP2CA1CA2PGR
SCHEMBL3563846 0.81 LMNA (0.42) ARL3MBTL1LMNAGAAMAPT
SCHEMBL3140749 0.81 PDK2 (0.41) EPHX2
SCHEMBL29952840 0.81 PDK2 (0.41) EPHX2
SCHEMBL29955103 0.81 LMNA (0.42) ARL3MBTL1LMNAGAAMAPT
SCHEMBL14165389 0.80 CA1 (0.49) CA1CA2AR
SCHEMBL1436749 0.78 PDK2 (0.44) CA1CA2L3MBTL1MAPT
SCHEMBL4628852 0.78 EPHX2 (0.46) EPHX2CA1CA2PGRAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250340563-A1 FUSED PYRIDAZINE DERIVATIVES AS NLRP3 INHIBITORS TAKEDA DEVELOPMENT CENTER AMERICAS, INC. 2025-11-06 — — US disclosed
US-20250333383-A1 N-OXIDE COMPOUNDS AND USE THEREOF SK BIOPHARMACEUTICALS CO., LTD. (KR) 2025-10-30 — — US disclosed
US-12383548-B2 Antibacterial quinolines Tecnimede—Sociedade Técnico-Medicinal, SA (PT) 2025-08-12 — — US disclosed
US-20250206724-A1 SUBSTITUTED 3-AMINO INDAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2025-06-26 — — US disclosed
EP-4514777-A1 N-OXIDE COMPOUNDS AND USE THEREOF SK Biopharmaceuticals Co., Ltd. (KR) 2025-03-05 — — EP disclosed
CN-114867528-B Antibacterial quinolines 社会医疗技术员技术股份公司 2024-03-19 — — CN disclosed
EP-4081304-B1 ANTIBACTERIAL QUINOLINES TECNIMEDE SOCIEDADE TECNICO MEDICINAL SA (PT) 2024-03-06 — — EP disclosed
WO-2023211195-A1 N-OXIDE COMPOUNDS AND USE THEREOF SK BIOPHARMACEUTICALS CO., LTD. (KR) 2023-11-02 — — WO disclosed
WO-2023194964-A1 FUSED PYRIDAZINE DERIVATIVES AS NLRP3 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-12 — — WO disclosed
WO-2023186773-A1 SUBSTITUTED 3-AMINO INDAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2023-10-05 — — WO disclosed
US-6548493-B1 Serotonin receptor modulators (5-HT2C and 5-HT2A); treating obesity, anxiety, depression, psychological disorders, migraine, sexual disorders BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-15 — — US disclosed
US-20020173503-A1 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-11-21 — — US disclosed
EP-1241158-A1 COMPOUND HAVING HYDROXYCARBONYL-HALOGENOALKYL SIDE CHAIN CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-09-18 — — EP disclosed
CN-1370176-A Subsstituted heterocycle fused gamma-carbolines BRISTOL MYERS SQUIBB CO (US) 2002-09-18 — — CN disclosed
WO-2002059129-A2 SUBSTITUTED TETRACYCLIC PYRIDOINDOLES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-01 — — WO disclosed
WO-2002059124-A2 SUBSTITUTED PYRROLOQUINOLINES AND PYRIDOQUINOLINES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-01 — — WO disclosed
EP-1192165-A2 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES Bristol-Myers Squibb Pharma Company (US) 2002-04-03 — — EP disclosed
EP-1189905-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES Bristol-Myers Squibb Pharma Company (US) 2002-03-27 — — EP disclosed
WO-2000077010-A2 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES DU PONT PHARMACEUTICALS COMPANY (US) 2000-12-21 — — WO disclosed
WO-2000077001-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES DU PONT PHARMACEUTICALS COMPANY (US) 2000-12-21 — — 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 (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-12383548-B2 Antibacterial quinolines NQO2, RABGGTB, NQO1 EPHX2 4695/4885ENPP2 2036/4885CA1 4877/4885
US-20020173503-A1 Substituted pyridoindoles as serotonin agonists and antagonists HTR1A, HTR1B, HTR7 EPHX2 1502/4885ENPP2 815/4885CA1 4650/4885
US-20250333383-A1 N-OXIDE COMPOUNDS AND USE THEREOF SCNN1B, SCN1B, SCN2B EPHX2 1625/4885ENPP2 1629/4885CA1 976/4885
US-20250206724-A1 SUBSTITUTED 3-AMINO INDAZOLE DERIVATIVES AS KINASE INHIBITORS CDK1, CDK11A, CDK3 EPHX2 4106/4885ENPP2 1794/4885CA1 4435/4885
US-20250340563-A1 FUSED PYRIDAZINE DERIVATIVES AS NLRP3 INHIBITORS NLRP3, NLRP1, NOD1 EPHX2 3268/4885ENPP2 2293/4885CA1 4754/4885

“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.