SCHEMBL1728534

SCHEMBL1728534

O=C(O)CC(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 3/20 0.74
FEN1 P39748 3/20 0.74
MMP1 P03956 2/20 0.63
PARP10 Q53GL7 1/20 0.58
SRD5A2 P31213 4/20 0.57
POLB P06746 1/20 0.55
HPGD P15428 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAPT P10636 1/20 0.54
ALOX15 P16050 1/20 0.54
CES1 P23141 1/20 0.54
MAPK1 P28482 1/20 0.54
KMT2A Q03164 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
FFAR1 O14842 1/20 0.53
PGR P06401 1/20 0.51

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
SCHEMBL6944973 0.85 ERCC5 (1.00) ERCC5FEN1MMP1PARP10SRD5A2
SCHEMBL29169327 0.85 ERCC5 (0.70) ERCC5FEN1MMP1PARP10SRD5A2
SCHEMBL24209329 0.85 ERCC5 (0.70) ERCC5FEN1MMP1PARP10SRD5A2
SCHEMBL9814634 0.84 MMP1 (0.77) ERCC5FEN1MMP1PARP10SRD5A2
SCHEMBL1728532 0.84 ERCC5 (0.68) ERCC5FEN1MMP1PARP10SRD5A2
Diphenylether SCHEMBL27775292 0.83 LTA4H (0.60) ERCC5FEN1MMP1PARP10SRD5A2
SCHEMBL4437033 0.83 MMP1 (0.71) ERCC5FEN1MMP1PARP10SRD5A2
SCHEMBL28547033 0.82 ERCC5 (0.66) ERCC5FEN1MMP1PARP10SRD5A2
SCHEMBL8341053 0.82 ERCC5 (0.66) ERCC5FEN1MMP1PARP10SRD5A2
SCHEMBL11832773 0.82 ERCC5 (0.66) ERCC5FEN1MMP1PARP10SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111499572-B Preparation method of intermediate of roxasistat 安徽省庆云医药股份有限公司 2022-04-01 CN claimed
CN-111499572-A Preparation method of intermediate of roxasistat 安徽省庆云医药股份有限公司 2020-08-07 CN claimed
CN-117105862-A Preparation method of roflumilast and intermediate thereof 北京福元医药股份有限公司 2023-11-24 CN disclosed
CN-117105862-A Preparation method of roflumilast and intermediate thereof 北京福元医药股份有限公司 2023-11-24 CN disclosed
CN-111499572-B Preparation method of intermediate of roxasistat 安徽省庆云医药股份有限公司 2022-04-01 CN disclosed
CN-111499572-B Preparation method of intermediate of roxasistat 安徽省庆云医药股份有限公司 2022-04-01 CN disclosed
CN-111499572-A Preparation method of intermediate of roxasistat 安徽省庆云医药股份有限公司 2020-08-07 CN disclosed
CN-111499572-A Preparation method of intermediate of roxasistat 安徽省庆云医药股份有限公司 2020-08-07 CN disclosed
US-8865751-B2 Thiazoles, imidazoles, and pyrazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-21 US disclosed
US-20130090479-A1 THIAZOLES, IMIDAZOLES, AND PYRAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-11 US disclosed
US-8236832-B2 Thiazoles, imidazoles, and pyrazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INC. (US) 2012-08-07 US disclosed
US-5128396-A Corrosion inhibiting primers on metallic substrates CIBA-GEIGY CORPORATION (US) 1992-07-07 US disclosed
EP-0412933-A1 Coating compositions CIBA-GEIGY AG (CH) 1991-02-13 EP disclosed
EP-0164590-B1 DERIVATIVES OF 4-(3'-TRIFLUOROMETHYLPHENOXY)-BENZOYLACETIC ACID CIBA-GEIGY AG (CH) 1988-08-31 EP disclosed
EP-0069055-B1 DIHYDROPYRONES, PROCESS FOR THEIR PREPARATION AND HERBICIDAL AGENT CONTAINING THESE DIHYDROPYRONES AS ACTIVE INGREDIENTS CIBA-GEIGY AG (CH) 1986-12-17 EP disclosed
EP-0164590-A1 Derivatives of 4-(3'-trifluoromethylphenoxy)-benzoylacetic acid CIBA-GEIGY AG (CH) 1985-12-18 EP disclosed
US-4460400-A HERBICIDES CIBA-GEIGY CORPORATION (US) 1984-07-17 US disclosed
EP-0069055-A2 Dihydropyrones, process for their preparation and herbicidal agent containing these dihydropyrones as active ingredients CIBA-GEIGY AG (CH) 1983-01-05 EP disclosed
US-3993670-A OPTICAL BRIGHTENERS BAYER AKTIENGESELLSCHAFT (DT) 1976-11-23 US disclosed
US-3971731-A OPTICAL BRIGHTENER, UV ABSORBER BAYER AKTIENGESELLSCHAFT (DT) 1976-07-27 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-20130090479-A1 THIAZOLES, IMIDAZOLES, AND PYRAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K5, MAP3K1, MAP3K20 ERCC5 3188/4885FEN1 3152/4885MMP1 4335/4885

“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.