SCHEMBL10158707

SCHEMBL10158707

COC(=O)[C@@H](OC(C)(C)C)c1c(CBr)nc2ccccc2c1I

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 1/20 0.36
▸ TACR3 P29371 5/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KDM4E B2RXH2 5/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ TACR2 P21452 3/20 0.35
▸ ELANE P08246 3/20 0.35
▸ TSHR P16473 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ PMP22 Q01453 1/20 0.35

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
SCHEMBL10158692 0.89 EDNRA (0.36) EDNRATACR3MEN1KMT2ANPC1
SCHEMBL15132897 0.88 KDM4E (0.43) EDNRATACR3MEN1KMT2ANPC1
SCHEMBL10158709 0.86 RXFP1 (0.40) EDNRATACR3MEN1KMT2ANPC1
SCHEMBL10157239 0.84 MEN1 (0.45) EDNRATACR3MEN1KMT2ANPC1
SCHEMBL10157235 0.76 MEN1 (0.43) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL12992704 0.75 MEN1 (0.47) EDNRAMEN1KMT2ANPC1GAA
SCHEMBL15132898 0.74 SMN1; SMN2 (0.41) MEN1KMT2ANPC1GAARAB9A
SCHEMBL10157230 0.73 CYP3A4 (0.48) MEN1KMT2ANPC1GAARAB9A
SCHEMBL16258491 0.73 CYP3A4 (0.48) MEN1KMT2ANPC1GAARAB9A
SCHEMBL12877374 0.72 PSIP1 (0.39) MEN1KMT2AGAARAB9AALDH1A1

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-8377960-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2013-02-19 — — US disclosed
US-8377960-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2013-02-19 — — US disclosed
EP-2220076-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INT (DE) 2012-01-18 — — EP disclosed
US-20110028464-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2011-02-03 — — US disclosed
US-20110028464-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2011-02-03 — — US disclosed
WO-2009062289-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 — — 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-20110028464-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, RTF1 EDNRA 1213/4885TACR3 3452/4885MEN1 4098/4885

“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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