SCHEMBL3987697

SCHEMBL3987697

O=S1(=O)CCCN1c1ccc(Br)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.41
FEN1 P39748 3/20 0.41
PARP1 P09874 2/20 0.40
TP53 P04637 1/20 0.36
CCR1 P32246 2/20 0.35
CCR2 P41597 2/20 0.35
CDK1 P06493 2/20 0.35
CDK2 P24941 2/20 0.35
CDK4 P11802 1/20 0.35
POLB P06746 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA6 P23280 1/20 0.34
OPRK1 P41145 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34

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
SCHEMBL29623545 0.81 MEN1 (0.41) PARP1TP53CDK1CDK2CDK4
SCHEMBL18010591 0.81 MEN1 (0.41) PARP1TP53CDK1CDK2CDK4
SCHEMBL14687389 0.78 POLB (0.53) ALOX5APFEN1TP53POLBALDH1A1
SCHEMBL24632662 0.77 PARP1 (0.41) ALOX5APFEN1PARP1TP53CDK1
SCHEMBL20752121 0.77 ALOX5AP (0.50) ALOX5APFEN1PARP1TP53POLB
SCHEMBL17195412 0.77 ALDH1A1 (0.47) POLBALDH1A1HPGD
SCHEMBL2366644 0.75 POLB (0.44) TP53CDK1CDK2CDK4POLB
SCHEMBL15668626 0.75 CYP1A2 (0.50) TP53ALDH1A1HPGD
SCHEMBL12068401 0.74 TRPV1 (0.37) ALOX5APFEN1PARP1TP53CDK1
SCHEMBL21267606 0.74 TRPV1 (0.42) ALOX5APFEN1PARP1TP53POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250230168-A1 AZASPIRO WRN INHIBITORS GILEAD SCIENCES, INC. 2025-07-17 US disclosed
WO-2025137640-A1 AZASPIRO WRN INHIBITORS GILEAD SCIENCES, INC. (US) 2025-06-26 WO disclosed
WO-2011148922-A1 NOVEL QUINAZOLINE COMPOUND 田辺三菱製薬株式会社 (JP) 2011-12-01 WO disclosed
US-7473790-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-01-06 US disclosed
US-7473790-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-01-06 US disclosed
US-7473790-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-01-06 US disclosed
US-7148226-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. (US) 2006-12-12 US disclosed
US-20060189681-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME AGOURON PHARMACEUTICALS, INC. 2006-08-24 US disclosed
EP-1597246-A2 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2005-11-23 EP disclosed
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2005-08-11 US disclosed
WO-2004074270-A2 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2004-09-02 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 (3 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-20250230168-A1 AZASPIRO WRN INHIBITORS WRN, RECQL, BLM ALOX5AP 3001/4885FEN1 34/4885PARP1 97/4885
US-20060189681-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME RNASE1, RNASEH1, NSUN3 ALOX5AP 2575/4885FEN1 1254/4885PARP1 681/4885
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, RNASEH1, NSUN3 ALOX5AP 2575/4885FEN1 1254/4885PARP1 681/4885

“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.