SCHEMBL22436074

SCHEMBL22436074

Cc1cc(Oc2ccc(NS(=O)(=O)C3CC3)cc2F)c2cc(F)ccc2n1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 4/20 0.49
▸ KIT P10721 6/20 0.45
▸ MAP2K4 P45985 2/20 0.41
▸ CYP17A1 P05093 2/20 0.40
▸ MAP2K7 O14733 1/20 0.40
▸ ATM Q13315 1/20 0.39
▸ AXL P30530 2/20 0.39

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
SCHEMBL1591382 0.81 AXL (0.44) KITATMAXL
SCHEMBL28720335 0.81 BRD4 (0.56) BRD4KITCYP17A1
SCHEMBL29549112 0.81 BRD4 (0.56) BRD4KITCYP17A1
SCHEMBL25680643 0.79 SCN9A (0.41) BRD4ATMAXL
SCHEMBL20442949 0.77 BRD4 (0.65) BRD4
SCHEMBL1555087 0.74 AXL (0.50) KITAXL
SCHEMBL20782711 0.74 KIT (0.64) KITAXL
SCHEMBL30446793 0.74 KIT (0.64) KITAXL
SCHEMBL28830984 0.73 BRD4 (0.53) BRD4KITCYP17A1
SCHEMBL29845731 0.73 BRD4 (0.53) BRD4KITCYP17A1

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-20200291024-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2020-09-17 — — 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-20200291024-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 BRD4 959/4885KIT 4057/4885MAP2K4 4276/4885

“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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