Sugi Predict

Sugi Predict / Compounds / SCHEMBL1503796

SCHEMBL1503796

SCHEMBL1503796

O=C(O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.66
▸ CYP1A2 P05177 1/20 0.66
▸ CYP2D6 P10635 1/20 0.66
▸ CYP2C19 P33261 1/20 0.66
▸ KDM4E B2RXH2 2/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ TP53 P04637 2/20 0.56
▸ MAPT P10636 2/20 0.56
▸ GPR35 Q9HC97 2/20 0.55
▸ TRPV1 Q8NER1 1/20 0.51
▸ ALDH1A1 P00352 4/20 0.50
▸ HTT P42858 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ PAX8 Q06710 1/20 0.50
▸ DHODH Q02127 1/20 0.50
▸ GRIK1 P39086 1/20 0.50
▸ GAA P10253 1/20 0.49
▸ ATM Q13315 1/20 0.47
▸ LMNA P02545 3/20 0.46
▸ POLB P06746 2/20 0.46

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
SCHEMBL20827438 0.87 HTT (0.59) RAB9ACYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL29758127 0.87 HTT (0.59) RAB9ACYP1A2CYP2D6CYP2C19KDM4E
Fluoride SCHEMBL10885630 0.85 RAB9A (0.68) RAB9ACYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL11960554 0.84 RAB9A (0.62) RAB9ACYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL20827103 0.84 GPR35 (0.47) RAB9ACYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL10885626 0.83 RAB9A (0.69) RAB9ACYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL1504061 0.83 RAB9A (0.61) RAB9ACYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL1091849 0.82 RAB9A (0.68) RAB9ACYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL7573311 0.82 RAB9A (0.68) RAB9ACYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL7328333 0.82 RAB9A (0.59) RAB9ACYP1A2CYP2D6CYP2C19KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10981860-B2 Caspase inhibitor and pharmaceutical composition, use and therapeutic method thereof CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2021-04-20 — — US disclosed
US-20190135733-A1 CASPASE INHIBITOR AND PHARMACEUTICAL COMPOSITION, USE AND THERAPEUTIC METHOD THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2019-05-09 — — US disclosed
EP-3456711-A1 CASPASE INHIBITOR AND PHARMACEUTICAL COMPOSITION, USE AND THERAPEUTIC METHOD THEREOF Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2019-03-20 — — EP disclosed
EP-1405852-B9 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-03-27 — — EP disclosed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 — — EP disclosed
EP-1405852-B1 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-08-01 — — EP disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 — — US disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 — — US disclosed
EP-2343290-A1 Diamine derivatives as factor X inhibitors Daiichi Sankyo Company, Limited (JP) 2011-07-13 — — EP disclosed
US-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 — — US disclosed
CN-1826333-A Diamine derivatives DAIICHI SEIYAKU CO (JP) 2006-08-30 — — CN disclosed
CN-1751025-A Diamine derivatives DAIICHI SEIYAKU CO (JP) 2006-03-22 — — CN disclosed
CN-1745071-A Novel ethylenediamine derivative DAIICHI SEIYAKU CO (JP) 2006-03-08 — — CN disclosed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 — — US disclosed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 — — EP disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 — — EP disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 — — US disclosed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 — — US disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 — — EP disclosed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 — — EP 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-10981860-B2 Caspase inhibitor and pharmaceutical composition, use and therapeutic method thereof CASP1, CASP14, CASP2 RAB9A 2065/4885CYP1A2 1447/4885CYP2D6 1941/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R RAB9A 3294/4885CYP1A2 2631/4885CYP2D6 577/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R RAB9A 3294/4885CYP1A2 2631/4885CYP2D6 577/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R RAB9A 3294/4885CYP1A2 2631/4885CYP2D6 577/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 RAB9A 2734/4885CYP1A2 2267/4885CYP2D6 1747/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R RAB9A 3496/4885CYP1A2 2535/4885CYP2D6 476/4885
US-20190135733-A1 CASPASE INHIBITOR AND PHARMACEUTICAL COMPOSITION, USE AND THERAPEUTIC METHOD THEREOF CASP1, CASP14, CASP2 RAB9A 2065/4885CYP1A2 1447/4885CYP2D6 1941/4885

“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.