SCHEMBL20553047

SCHEMBL20553047

Cc1nn(CC(=O)O)c(C)c1-c1ccccc1Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 13/20 0.43
▸ AKR1B1 P15121 1/20 0.42
▸ BRAF P15056 1/20 0.42
▸ NR3C1 P04150 1/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ALDH1A1 P00352 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
SCHEMBL20553004 0.89 LMNA (0.48) PTGDR2AKR1B1MAPT
SCHEMBL20552924 0.88 KMT2A (0.43) NR3C1MEN1MAPTHTTKMT2A
SCHEMBL20553542 0.85 BRAF (0.41) PTGDR2BRAFNR3C1MEN1MAPT
SCHEMBL25786817 0.80 LMNA (0.47) PTGDR2MEN1MAPTRAB9AKMT2A
SCHEMBL25786824 0.78 GAA (0.38) BRAFNR3C1MAPTRAB9AKMT2A
SCHEMBL20553072 0.78 LMNA (0.45) KMT2A
SCHEMBL20552875 0.74 ABCG2 (0.53) MEN1MAPTHTTKMT2AALDH1A1
SCHEMBL21749237 0.74 ALDH1A1 (0.44) MAPTRAB9AALDH1A1
SCHEMBL25786802 0.73 HTT (0.41) MEN1MAPTHTTKMT2A
SCHEMBL20552879 0.72 PDK2 (0.52) AKR1B1

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 8 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-11186554-B2 Non-fused tricyclic compounds VIVACE THERAPEUTICS, INC. (US) 2021-11-30 — — US disclosed
US-11186554-B2 Non-fused tricyclic compounds VIVACE THERAPEUTICS, INC. (US) 2021-11-30 — — US disclosed
CN-111132673-A Non-fused tricyclic compounds 维瓦斯治疗公司 2020-05-08 — — CN disclosed
EP-3618818-A1 NON-FUSED TRICYCLIC COMPOUNDS Vivace Therapeutics, Inc. (US) 2020-03-11 — — EP disclosed
US-20200062721-A1 NON-FUSED TRICYCLIC COMPOUNDS VIVACE THERAPEUTICS, INC. 2020-02-27 — — US disclosed
US-20200062721-A1 NON-FUSED TRICYCLIC COMPOUNDS VIVACE THERAPEUTICS, INC. 2020-02-27 — — US disclosed
WO-2018204532-A1 NON-FUSED TRICYCLIC COMPOUNDS VIVACE THERAPEUTICS, INC. (US) 2018-11-08 — — 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 (3 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-20200062721-A1 NON-FUSED TRICYCLIC COMPOUNDS YAP1, MYC, TEAD2 PTGDR2 1966/4885AKR1B1 3610/4885BRAF 436/4885
US-11186554-B2 Non-fused tricyclic compounds YAP1, MYC, TEAD2 PTGDR2 1966/4885AKR1B1 3610/4885BRAF 436/4885
US-20230192607-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF TEAD1, TEAD4, TEAD2 PTGDR2 2359/4885AKR1B1 1272/4885BRAF 1038/4885

“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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