SCHEMBL30061302

SCHEMBL30061302

CCN(CC)C(=O)c1ccc(Nc2ccc(C(F)(F)F)cc2)c(-c2nnn(C)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.41
▸ AKR1C2 P52895 1/20 0.41
▸ ABCG2 Q9UNQ0 6/20 0.41
▸ HPGD P15428 2/20 0.40
▸ RAB9A P51151 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ TEAD1 P28347 1/20 0.39
▸ YAP1 P46937 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ LRRK2 Q5S007 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ GRM5 P41594 1/20 0.36
▸ MLYCD O95822 1/20 0.36
▸ ABCB1 P08183 2/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ PDK2 Q15119 1/20 0.36

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
SCHEMBL21090803 1.00 AKR1C3 (0.41) AKR1C3AKR1C2ABCG2HPGDRAB9A
SCHEMBL25791092 0.91 RAB9A (0.44) AKR1C3AKR1C2HPGDRAB9ATP53
SCHEMBL21090797 0.90 AKR1C3 (0.44) AKR1C3AKR1C2HPGDYAP1MAPT
SCHEMBL30061294 0.90 AKR1C3 (0.44) AKR1C3AKR1C2HPGDYAP1MAPT
SCHEMBL21090776 0.89 AKR1C3 (0.43) AKR1C3AKR1C2ABCG2RAB9ATP53
SCHEMBL30063574 0.89 AKR1C3 (0.43) AKR1C3AKR1C2ABCG2RAB9ATP53
SCHEMBL21054627 0.86 AKR1C3 (0.51) AKR1C3AKR1C2ABCG2TEAD1YAP1
SCHEMBL30062663 0.86 AKR1C3 (0.51) AKR1C3AKR1C2ABCG2TEAD1YAP1
SCHEMBL21090761 0.85 ABCG2 (0.44) AKR1C3AKR1C2ABCG2TEAD1YAP1
SCHEMBL30061347 0.85 ABCG2 (0.44) AKR1C3AKR1C2ABCG2TEAD1YAP1

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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