SCHEMBL21958614

SCHEMBL21958614

CS(=O)(=O)c1nn(O)c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.36
▸ AGTR1 P30556 2/20 0.36
▸ HCRTR1 O43613 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35
▸ ERCC1 P07992 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ ERCC4 Q92889 1/20 0.35
▸ PER2 O15055 5/20 0.35
▸ CRY1 Q16526 5/20 0.35
▸ CRY2 Q49AN0 5/20 0.35
▸ EP300 Q09472 1/20 0.34
▸ KAT2B Q92831 1/20 0.34
▸ KAT8 Q9H7Z6 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ RARG P13631 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ KMT2A Q03164 3/20 0.33
▸ GPR3 P46089 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MEN1 O00255 1/20 0.33

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
SCHEMBL20674532 0.86 POLB (0.34) POLBAGTR1HCRTR1HCRTR2ERCC1
SCHEMBL21958610 0.82 LDHA (0.38) POLBHCRTR1HCRTR2ALDH1A1RARG
SCHEMBL20674544 0.81 FTO (0.39) POLBHCRTR1HCRTR2ERCC1FEN1
SCHEMBL28148218 0.80 KDM4E (0.43) ALDH1A1GPR3TSHRMAPK1KDM4E
SCHEMBL21955928 0.76 COMT (0.39) ALDH1A1KMT2ALMNAMEN1MAPK1
SCHEMBL20674559 0.75 CCR4 (0.42) PER2CRY1CRY2EP300KAT2B
SCHEMBL18463756 0.71 GLS (0.50) POLBALDH1A1GPR3LMNATSHR
SCHEMBL20674536 0.69 POLB (0.46) POLBALDH1A1LMNAMAPK1KDM4E
SCHEMBL11773693 0.69 DDB1 (0.40) POLBALDH1A1CYP2C19KDM4E
SCHEMBL3802279 0.69 POLB (0.39) POLBERCC1FEN1ERCC4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3399968-B1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS PHARMATECH LTD (KY) 2021-10-20 — — EP disclosed
US-20200131176-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS PHARMATECH LIMITED (KY) 2020-04-30 — — 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-20200131176-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE EGFR, ERBB3, ERBB2 POLB 3247/4885AGTR1 486/4885HCRTR1 4867/4885

“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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