SCHEMBL30062663

SCHEMBL30062663

Cn1nnc(-c2cc(C(=O)O)ccc2Nc2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 5/20 0.51
▸ AKR1C2 P52895 5/20 0.51
▸ ABCG2 Q9UNQ0 8/20 0.45
▸ TEAD1 P28347 2/20 0.40
▸ YAP1 P46937 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ TEAD4 Q15561 1/20 0.40
▸ TEAD2 Q15562 1/20 0.40
▸ TEAD3 Q99594 1/20 0.40
▸ AKR1B1 P15121 1/20 0.40
▸ AKR1C4 P17516 1/20 0.40
▸ AKR1C1 Q04828 1/20 0.40
▸ PPARG P37231 1/20 0.39
▸ PPARD Q03181 1/20 0.39
▸ NR1H4 Q96RI1 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ GFER P55789 1/20 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
SCHEMBL21054627 1.00 AKR1C3 (0.51) AKR1C3AKR1C2ABCG2TEAD1YAP1
SCHEMBL30062661 0.90 AKR1C3 (0.45) AKR1C3AKR1C2ABCG2TEAD1YAP1
SCHEMBL21054808 0.90 AKR1C3 (0.45) AKR1C3AKR1C2ABCG2TEAD1YAP1
SCHEMBL30062650 0.89 ABCG2 (0.48) AKR1C3AKR1C2ABCG2TEAD1YAP1
SCHEMBL21054644 0.89 ABCG2 (0.46) AKR1C3AKR1C2ABCG2TEAD1YAP1
SCHEMBL21055838 0.89 ABCG2 (0.48) AKR1C3AKR1C2ABCG2TEAD1YAP1
SCHEMBL30063574 0.89 AKR1C3 (0.43) AKR1C3AKR1C2ABCG2TEAD1YAP1
SCHEMBL21054916 0.89 AKR1C3 (0.53) AKR1C3AKR1C2TEAD4AKR1B1AKR1C4
SCHEMBL21090776 0.89 AKR1C3 (0.43) AKR1C3AKR1C2ABCG2TEAD1YAP1
SCHEMBL30061296 0.89 AKR1C3 (0.53) AKR1C3AKR1C2TEAD4AKR1B1AKR1C4

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-11524943-B1 Benzocarbonyl compounds VIVACE THERAPEUTICS, INC. (US) 2022-12-13 — — 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-11524943-B1 Benzocarbonyl compounds YAP1, TEAD2, TEAD3 AKR1C3 4086/4885AKR1C2 3536/4885ABCG2 2776/4885

“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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