SCHEMBL4299596

SCHEMBL4299596

COc1ccc(F)c(F)c1COc1cc(NC(=O)OC(C)(C)C)c(F)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 8/20 0.40
ANO1 Q5XXA6 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.35
GNRHR P30968 1/20 0.35
CYP17A1 P05093 1/20 0.35
P2RX3 P56373 1/20 0.34
KCNQ4 P56696 1/20 0.34
KCNQ5 Q9NR82 1/20 0.34
CYP2C9 P11712 1/20 0.34
PTGER1 P34995 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP13 P45452 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PIK3CD O00329 1/20 0.34
ABL1 P00519 1/20 0.34

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
SCHEMBL29051362 0.91 GNRHR (0.42) AAK1ANO1ALDH1A1GAARAB9A
SCHEMBL3099768 0.84 POLB (0.40) ANO1ALDH1A1GAAGNRHRP2RX3
SCHEMBL29211424 0.79 ANO1 (0.40) AAK1ANO1ALDH1A1GAAGNRHR
SCHEMBL28892489 0.78 AAK1 (0.46) AAK1ALDH1A1GAARAB9ACYP17A1
SCHEMBL25095852 0.77 MEN1 (0.42) AAK1ALDH1A1GAACYP17A1KDM4E
SCHEMBL4304440 0.73 CACNA1C (0.36) GAARAB9AGNRHRKDM4E
SCHEMBL31736070 0.72 AAK1 (0.52) AAK1RAB9ACYP17A1KCNQ4KCNQ5
SCHEMBL2841208 0.72 CA12 (0.39) AAK1ALDH1A1GAAKDM4E
SCHEMBL31662566 0.71 AAK1 (0.48) AAK1ALDH1A1GAACYP17A1CYP2C9
SCHEMBL24195942 0.71 AAK1 (0.46) AAK1RAB9ACYP17A1KCNQ4KCNQ5

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
EP-1939204-B3 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL (JP) 2022-08-24 EP disclosed
US-9040693-B2 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 US disclosed
EP-1939204-B1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL (JP) 2013-01-02 EP disclosed
US-20090325900-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
EP-1939204-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2008-07-02 EP 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-20090325900-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF SHBG, CYP19A1, NR5A1 AAK1 4587/4885ANO1 4200/4885ALDH1A1 1048/4885

“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.