SCHEMBL21090797

SCHEMBL21090797

CCN(CC)C(=O)c1ccc(Nc2cccc(C(F)(F)F)c2)c(-c2nnn(C)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 3/20 0.44
▸ AKR1C2 P52895 2/20 0.44
▸ MAPT P10636 1/20 0.41
▸ MPO P05164 4/20 0.41
▸ OPRM1 P35372 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ YAP1 P46937 1/20 0.39
▸ TEAD4 Q15561 1/20 0.39
▸ TEAD2 Q15562 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ EPHB2 P29323 1/20 0.37
▸ DDR1 Q08345 1/20 0.37
▸ DDR2 Q16832 1/20 0.37
▸ PTK6 Q13882 1/20 0.37
▸ TSHR P16473 1/20 0.37

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
SCHEMBL30061294 1.00 AKR1C3 (0.44) AKR1C3AKR1C2MAPTMPOOPRM1
SCHEMBL25791107 0.90 HPGD (0.38) AKR1C3AKR1C2LMNARECQLHPGD
SCHEMBL21090803 0.90 AKR1C3 (0.41) AKR1C3AKR1C2MAPTYAP1HPGD
SCHEMBL21090794 0.90 AKR1C3 (0.46) AKR1C3AKR1C2MAPTMPORXFP1
SCHEMBL30061302 0.90 AKR1C3 (0.41) AKR1C3AKR1C2MAPTYAP1HPGD
SCHEMBL29438919 0.90 AKR1C3 (0.46) AKR1C3AKR1C2MAPTMPORXFP1
SCHEMBL21054916 0.87 AKR1C3 (0.53) AKR1C3AKR1C2MPOTEAD4LMNA
SCHEMBL30061296 0.87 AKR1C3 (0.53) AKR1C3AKR1C2MPOTEAD4LMNA
SCHEMBL21053159 0.86 MAPT (0.46) AKR1C3AKR1C2MAPTMPORXFP1
SCHEMBL21090762 0.86 DDR2 (0.48) AKR1C3AKR1C2MAPTMPORXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192607-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-06-22 — — US disclosed
US-11524943-B1 Benzocarbonyl compounds VIVACE THERAPEUTICS, INC. (US) 2022-12-13 — — US disclosed
WO-2019113236-A1 BENZOCARBONYL COMPOUNDS VIVACE THERAPEUTICS, INC. (US) 2019-06-13 — — WO 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 (2 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 3536/4885MAPT 1776/4885
US-20230192607-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF TEAD1, TEAD4, TEAD2 AKR1C3 2063/4885AKR1C2 1874/4885MAPT 516/4885

“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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