SCHEMBL25138331

SCHEMBL25138331

O=C(Nc1ccc2c(c1)OCC(=O)N2Cc1c(F)ccc(O)c1Cl)Nc1ccc2cc[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.39
POLB P06746 2/20 0.39
ALOX15 P16050 1/20 0.39
RORC P51449 1/20 0.37
ESR1 P03372 2/20 0.37
ITGB3 P05106 3/20 0.37
ITGA2B P08514 3/20 0.37
MAPT P10636 5/20 0.36
IDH1 O75874 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAOA P21397 1/20 0.35

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
SCHEMBL25138284 0.90 ITGB3 (0.40) PYGLPOLBALOX15RORCITGB3
SCHEMBL25138407 0.89 ESR1 (0.40) POLBESR1ITGB3ITGA2BMAPT
SCHEMBL29978756 0.89 ESR1 (0.40) POLBESR1ITGB3ITGA2BMAPT
SCHEMBL25138380 0.89 KMT2A (0.43) PYGLRORCITGB3ITGA2BMAPT
SCHEMBL29979296 0.89 KMT2A (0.43) PYGLRORCITGB3ITGA2BMAPT
SCHEMBL25138345 0.88 ESR1 (0.39) PYGLPOLBALOX15RORCESR1
SCHEMBL29978957 0.86 PIK3C2A (0.44) PYGLPOLBALOX15RORCESR1
SCHEMBL28914121 0.86 PIK3C2A (0.44) PYGLPOLBALOX15RORCESR1
SCHEMBL25138334 0.85 ESR1 (0.38) PYGLPOLBALOX15RORCESR1
SCHEMBL25138415 0.84 ITGB3 (0.40) PYGLPOLBALOX15RORCESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230124361-A1 SMALL MOLECULE STING ANTAGONISTS CURADEV PHARMA PVT. LTD. (IN) 2023-04-20 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-20230124361-A1 SMALL MOLECULE STING ANTAGONISTS STING1, CGAS, MAVS PYGL 428/4885POLB 2319/4885ALOX15 366/4885

“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.