SCHEMBL21054279

SCHEMBL21054279

COC(=O)c1ccc(Nc2ccc(C(F)(F)F)cc2)c(-c2cccnn2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MYC P01106 1/20 0.45
▸ MAX P61244 1/20 0.45
▸ AKR1C3 P42330 1/20 0.44
▸ AKR1C2 P52895 1/20 0.44
▸ P2RY1 P47900 1/20 0.43
▸ TLR2 O60603 1/20 0.42
▸ TLR1 Q15399 1/20 0.42
▸ TEAD1 P28347 1/20 0.41
▸ YAP1 P46937 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ GPBAR1 Q8TDU6 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ TRPV1 Q8NER1 3/20 0.39
▸ KDR P35968 3/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ ABL1 P00519 1/20 0.38
▸ TEK Q02763 1/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ PDK2 Q15119 1/20 0.38

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
SCHEMBL25791282 0.89 KDM4E (0.39) MYCMAXAKR1C3AKR1C2TLR2
SCHEMBL30063457 0.88 AKR1C3 (0.49) AKR1C3AKR1C2TEAD1YAP1KDM4E
SCHEMBL21054160 0.88 AKR1C3 (0.49) AKR1C3AKR1C2TEAD1YAP1KDM4E
SCHEMBL21054196 0.86 TRPV1 (0.52) MYCMAXAKR1C3AKR1C2P2RY1
SCHEMBL30063155 0.86 TRPV1 (0.52) MYCMAXAKR1C3AKR1C2P2RY1
SCHEMBL21090791 0.81 MYC (0.45) MYCMAXAKR1C3AKR1C2P2RY1
SCHEMBL30061343 0.81 TEAD1 (0.63) MYCMAXAKR1C3AKR1C2P2RY1
SCHEMBL21054483 0.81 TEAD1 (0.63) MYCMAXAKR1C3AKR1C2P2RY1
SCHEMBL21054314 0.81 GPBAR1 (0.46) MYCMAXAKR1C3AKR1C2P2RY1
SCHEMBL21054156 0.80 MYC (0.44) MYCMAXAKR1C3AKR1C2P2RY1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11524943-B1 Benzocarbonyl compounds VIVACE THERAPEUTICS, INC. (US) 2022-12-13 — — 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

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 MYC 6/4885MAX 2612/4885AKR1C3 4086/4885

“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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