SCHEMBL1198641

SCHEMBL1198641

O=C(NCc1ccc(F)cc1)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CALCA P06881 9/20 1.00
KMT2A Q03164 1/20 0.42
CYP2C9 P11712 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KCNH2 Q12809 1/20 0.40

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
SCHEMBL29393055 1.00 CALCA (1.00) CALCAKMT2ACYP2C9SMN1; SMN2KCNH2
SCHEMBL4060940 0.97 CALCA (0.95) CALCAKMT2ACYP2C9SMN1; SMN2KCNH2
SCHEMBL6046599 0.92 CALCA (1.00) CALCA
SCHEMBL4063925 0.91 CALCA (0.84) CALCAKMT2ACYP2C9
SCHEMBL4058757 0.90 CALCA (0.82) CALCAKMT2ASMN1; SMN2
SCHEMBL4060225 0.90 CALCA (0.81) CALCAKMT2ASMN1; SMN2
SCHEMBL4067919 0.89 CALCA (0.80) CALCAKMT2ASMN1; SMN2
SCHEMBL4060939 0.89 CALCA (0.79) CALCAKMT2ASMN1; SMN2
SCHEMBL7263607 0.88 CALCA (0.79) CALCA
SCHEMBL14260007 0.88 CALCA (0.78) CALCAKMT2ACYP2C9SMN1; SMN2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4566670-A2 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS Gilead Sciences, Inc. (US) 2025-06-11 EP claimed
EP-4403221-A2 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS Gilead Sciences, Inc. (US) 2024-07-24 EP claimed
WO-2012095388-A2 COMPOUNDS FOR TREATMENT OF FELINE LEUKEMIA IN FELIDAE Universität Zürich (CH) 2012-07-19 WO claimed
US-8211879-B2 Cationic steroid antimicrobial compositions and methods of use BRIGHAM YOUNG UNIVERSITY (US) 2012-07-03 US claimed
EP-1326865-B1 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2009-05-06 EP claimed
US-20080280849-A1 Synergic Combinations Comprising a Quinoline Compound and Other Hiv Infection Therapeutic Agents CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2008-11-13 US claimed
US-20050176718-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors ANTHONY NEVILLE J (US) 2005-08-11 US claimed
US-20050165000-A1 Pharmaceutical compositions containing an hiv integrase inhibitor and a nonionic surfactant ROBERTSON SANDRA K (US) 2005-07-28 US claimed
US-6921759-B2 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2005-07-26 US claimed
EP-1326865-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2003-07-16 EP claimed
US-20030055071-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors MERCK SHARP & DOHME CORP. 2003-03-20 US claimed
WO-2002030930-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2002-04-18 WO claimed
WO-2002030931-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2002-04-18 WO claimed
EP-4005560-B1 COMBINATION FORMULATION OF TWO ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2026-02-11 EP disclosed
EP-3730503-B1 ANTIVIRAL NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR SHENZHEN TARGETRX INC (CN) 2026-01-28 EP disclosed
EP-4065116-B1 CAPSID INHIBITORS FOR THE PREVENTION OF HIV GILEAD SCIENCES INC (US) 2026-01-21 EP disclosed
WO-2003016309-A1 PROCESS FOR PREPARING 5-SULFONAMIDO-8-HYDROXY-1, 6-NAPHTHYRIDINE-7-CARBOXAMIDES MERCK & CO., INC. (US) 2003-02-27 WO disclosed
WO-2003016315-A1 SODIUM SALT OF AN HIV INTEGRASE INHIBITOR MERCK & CO., INC. (US) 2003-02-27 WO disclosed
WO-2002030930-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2002-04-18 WO disclosed
WO-2002030931-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2002-04-18 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 (4 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-20080280849-A1 Synergic Combinations Comprising a Quinoline Compound and Other Hiv Infection Therapeutic Agents CTSL, CDKL1, QTRT2 CALCA 4329/4885KMT2A 1290/4885CYP2C9 2789/4885
US-20030055071-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors POLI, DUT, NAAA CALCA 3366/4885KMT2A 61/4885CYP2C9 2675/4885
US-20050176718-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors POLI, DUT, NAAA CALCA 3366/4885KMT2A 61/4885CYP2C9 2675/4885
US-20050165000-A1 Pharmaceutical compositions containing an hiv integrase inhibitor and a nonionic surfactant CDK7, INTS6, POLA1 CALCA 4164/4885KMT2A 1208/4885CYP2C9 410/4885

“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.