SCHEMBL21091532

SCHEMBL21091532

COC(=O)c1ccc(Nc2ccc(C(F)(F)F)cc2)c(C#N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 2/20 0.50
▸ AKR1C2 P52895 2/20 0.50
▸ NOTUM Q6P988 2/20 0.42
▸ KIF11 P52732 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ MYC P01106 1/20 0.41
▸ MAX P61244 1/20 0.41
▸ TRPV1 Q8NER1 2/20 0.40
▸ TAS2R14 Q9NYV8 2/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ TLR2 O60603 1/20 0.40
▸ TLR1 Q15399 1/20 0.40
▸ ABCC9 O60706 1/20 0.40
▸ ABCC8 Q09428 1/20 0.40
▸ KCNJ11 Q14654 1/20 0.40
▸ KCNJ8 Q15842 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ CES2 O00748 1/20 0.40
▸ CES1 P23141 1/20 0.40

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
SCHEMBL21053182 0.81 NOTUM (0.58) AKR1C3AKR1C2NOTUMGAAMYC
SCHEMBL21090688 0.81 AKR1C3 (0.53) AKR1C3AKR1C2NOTUMGAAMYC
SCHEMBL20552520 0.80 KIF11 (0.45) AKR1C3AKR1C2KIF11GAATRPV1
SCHEMBL23768092 0.80 XDH (0.51) AKR1C3AKR1C2NOTUMMYCMAX
SCHEMBL20553063 0.80 LRRK2 (0.52) AKR1C3AKR1C2KIF11GAA
SCHEMBL24704595 0.78 AKR1C3 (0.59) AKR1C3AKR1C2NOTUMGAAMYC
SCHEMBL20552788 0.78 LRRK2 (0.49) AKR1C3AKR1C2KIF11GAATAS2R14
SCHEMBL20552334 0.77 TRPV1 (0.44) AKR1C3AKR1C2KIF11GAATRPV1
SCHEMBL21054812 0.76 AKR1C3 (0.57) AKR1C3AKR1C2NOTUMGAAMYC
SCHEMBL20552318 0.76 LRRK2 (0.50) AKR1C3AKR1C2KIF11GAATRPV1

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 2 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
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 AKR1C3 4086/4885AKR1C2 3536/4885NOTUM 4426/4885

“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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