SCHEMBL8760722

SCHEMBL8760722

COc1cc(C)c(NC(=O)OC(C)(C)C)cc1F

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
CYP17A1 P05093 1/20 0.40
P2RX7 Q99572 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
AAK1 Q2M2I8 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
RORC P51449 4/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL4568354 0.87 MAPT (0.49) ALDH1A1GAAAAK1KDM4EMAPT
SCHEMBL4568355 0.83 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL28797272 0.82 CYP17A1 (0.43) CYP17A1AAK1CA12CA1CA9
SCHEMBL25380050 0.82 AAK1 (0.47) ALDH1A1GAACYP17A1MTNR1AMTNR1B
SCHEMBL6117196 0.82 HTT (0.45) ALDH1A1GAAP2RX7KDM4EMAPT
SCHEMBL19554317 0.81 KDM4E (0.46) ALDH1A1GAAKDM4EMAPTRAB9A
SCHEMBL19554302 0.81 KDM4E (0.45) ALDH1A1GAACYP17A1MTNR1AMTNR1B
Carbamic Acid SCHEMBL31281228 0.80 AAK1 (0.42) ALDH1A1GAACYP17A1P2RX7MTNR1A
SCHEMBL4202989 0.80 AAK1 (0.43) ALDH1A1GAAAAK1KDM4ECA12
SCHEMBL4568353 0.80 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680120-B2 Indole derivative or pharmaceutically acceptable salt thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-03-25 US disclosed
US-8680120-B2 Indole derivative or pharmaceutically acceptable salt thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-03-25 US disclosed
EP-2460791-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2012-06-06 EP disclosed
US-20120129890-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-24 US disclosed
US-20120129890-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-24 US disclosed
WO-2011013624-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF キッセイ薬品工業株式会社 (JP) 2011-02-03 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-20120129890-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, ARRB1 ALDH1A1 370/4885GAA 4670/4885CYP17A1 1325/4885

“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.