SCHEMBL21055838

SCHEMBL21055838

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 12/20 0.48
▸ MYC P01106 1/20 0.45
▸ MAX P61244 1/20 0.45
▸ AKR1C3 P42330 1/20 0.44
▸ AKR1C2 P52895 1/20 0.44
▸ TLR2 O60603 1/20 0.42
▸ TLR1 Q15399 1/20 0.42
▸ ABCB1 P08183 2/20 0.42
▸ MAPT P10636 1/20 0.40
▸ TEAD1 P28347 1/20 0.39
▸ YAP1 P46937 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPK14 Q16539 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
SCHEMBL30062650 1.00 ABCG2 (0.48) ABCG2MYCMAXAKR1C3AKR1C2
SCHEMBL25790940 0.93 ABCG2 (0.41) ABCG2MYCMAXAKR1C3AKR1C2
SCHEMBL21054627 0.89 AKR1C3 (0.51) ABCG2AKR1C3AKR1C2ABCB1MAPT
SCHEMBL30062663 0.89 AKR1C3 (0.51) ABCG2AKR1C3AKR1C2ABCB1MAPT
SCHEMBL21054301 0.89 AKR1C3 (0.47) ABCG2MYCMAXAKR1C3AKR1C2
SCHEMBL29438861 0.89 AKR1C3 (0.47) ABCG2MYCMAXAKR1C3AKR1C2
SCHEMBL25790954 0.89 GAA (0.39) ABCG2MYCMAXAKR1C3AKR1C2
SCHEMBL21054808 0.88 AKR1C3 (0.45) ABCG2AKR1C3AKR1C2ABCB1TEAD1
SCHEMBL30062661 0.88 AKR1C3 (0.45) ABCG2AKR1C3AKR1C2ABCB1TEAD1
SCHEMBL21054644 0.88 ABCG2 (0.46) ABCG2AKR1C3AKR1C2TLR2TLR1

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 5 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
EP-3720430-A1 BENZOCARBONYL COMPOUNDS Vivace Therapeutics, Inc. (US) 2020-10-14 — — EP disclosed
WO-2019113236-A1 BENZOCARBONYL COMPOUNDS VIVACE THERAPEUTICS, INC. (US) 2019-06-13 — — WO 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 ABCG2 2776/4885MYC 6/4885MAX 2612/4885
US-20230192607-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF TEAD1, TEAD4, TEAD2 ABCG2 2217/4885MYC 31/4885MAX 2331/4885

“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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