SCHEMBL1613852

SCHEMBL1613852

O=C(O)Cn1sc2ccccc2c1=O

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ G6PD P11413 5/20 0.68
▸ KAT2A Q92830 4/20 0.68
▸ KAT2B Q92831 4/20 0.68
▸ CASP3 P42574 4/20 0.63
▸ FAAH O00519 1/20 0.56
▸ MGLL Q99685 1/20 0.56

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
SCHEMBL12179299 0.85 CASP3 (0.65) G6PDKAT2AKAT2BCASP3
SCHEMBL12205847 0.85 G6PD (0.62) G6PDKAT2AKAT2BCASP3
SCHEMBL12230845 0.84 KAT2A (0.70) G6PDKAT2AKAT2BCASP3
SCHEMBL9886495 0.82 DTYMK (0.74) G6PDKAT2AKAT2BCASP3
SCHEMBL19240713 0.82 CASP3 (0.66) G6PDKAT2AKAT2BCASP3FAAH
SCHEMBL13606221 0.82 G6PD (0.72) G6PDKAT2AKAT2BCASP3
SCHEMBL9274624 0.81 KAT2A (0.66) G6PDKAT2AKAT2BCASP3
SCHEMBL12370925 0.81 KAT2A (0.67) G6PDKAT2AKAT2BCASP3
SCHEMBL20937506 0.81 CASP3 (0.59) G6PDKAT2AKAT2BCASP3
SCHEMBL12230840 0.81 KAT2A (0.71) G6PDKAT2AKAT2BCASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080108115-A1 ENHANCED PRODUCTION OF TAXOL AND TAXANES BY CELL CULTURES OF TAXUS SPECIES DFB BIOTECH, INCORPORATED (US) 2008-05-08 — — US claimed
US-7294642-B2 1,3-Diamino-2-hydroxypropane pro-drug derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-11-13 — — US claimed
US-7264951-B1 Enhanced production of taxol and taxanes by cell cultures of Taxus species PHYTON, INC. (US) 2007-09-04 — — US claimed
EP-4008328-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS AbbVie Inc. (US) 2022-06-08 — — EP disclosed
CN-109535153-B Benzisothiazolinone isoxazole acetamide derivative and synthetic method and application thereof 南京工业大学 2020-07-17 — — CN disclosed
WO-2020020101-A1 BENZISOSELENAZOLIDONE AMINE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海星叶医药科技有限公司 2020-01-30 — — WO disclosed
US-20190284135-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. 2019-09-19 — — US disclosed
EP-3483167-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS AbbVie Inc. (US) 2019-05-15 — — EP disclosed
EP-3013337-B1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC (US) 2018-10-31 — — EP disclosed
CN-103772377-B 1,3, 4-thiadiazole benzisothiazolinone acetamide derivative and synthetic method thereof NANJING TECH UNIVERSITY (CN) 2016-04-13 — — CN disclosed
US-9278982-B2 Targeting human thymidylate kinase induces DNA repair toxicity in malignant tumor cells NATIONAL YANG-MING UNIVERSITY (TW) 2016-03-08 — — US disclosed
EP-0828488-B1 ISOTHIAZOLONES WARNER LAMBERT CO (US) 2003-02-12 — — EP disclosed
US-6133270-A Isothiazolones and pharmaceutical formulations WARNER-LAMBERT COMPANY (US) 2000-10-17 — — US disclosed
US-6001863-A USEFUL AS ANTIVIRAL, ANTIINFLAMMATORY AND ANTIATHEROSCLEROSIS AGENT; ADMINISTERING TO THE PATIENT IN NEED OF ZINC EJECTION FROM NUCLEOCAPSID PROTEIN WARNER-LAMBERT COMPANY (US) 1999-12-14 — — US disclosed
US-5889034-A ANTIINFLAMMATORY AGENT; ANTIATHEROSCLEROSIS AGENT; VIRICIDES WARNER-LAMBERT COMPANY (US) 1999-03-30 — — US disclosed
CN-1185737-A Isothiazolones WARNER LAMBERT CO (US) 1998-06-24 — — CN disclosed
US-5733921-A ANTIRETROVIRAL AGENTS; ANTIINFLAMMATORY AGENTS; ANTIATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1998-03-31 — — US disclosed
US-5668162-A Isothiazolones lower plasma levels of lipoprotein(a) WARNER-LAMBERT COMPANY 1997-09-16 — — US disclosed
US-5620997-A VIRICIDES, ANTIINFLAMMATORY AGENTS, ANTIATHEROSCLEROTIC AGENT WARNER-LAMBERT COMPANY (US) 1997-04-15 — — US disclosed
US-3960856-A Process for the preparation of 4-hydroxy-3-(5-methyl-3-isoxazolylcarbamoyl)-2-methyl-2H-1,2-benzothiazine 1,1-dioxide WARNER-LAMBERT COMPANY (US) 1976-06-01 — — 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 (1 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-20190284135-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS BTK, SYK, MYD88 G6PD 750/4885KAT2A 1296/4885KAT2B 1480/4885

“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.

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