SCHEMBL12877374

SCHEMBL12877374

COC(=O)[C@@H](OC(C)(C)C)c1c(C)nc2cc(Br)ccc2c1I

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSIP1 O75475 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.36
▸ HTT P42858 2/20 0.36
▸ CASP3 P42574 2/20 0.35
▸ MPO P05164 1/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ RXFP1 Q9HBX9 2/20 0.32
▸ PRNP P04156 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ NR2E3 Q9Y5X4 1/20 0.32
▸ NCOR2 Q9Y618 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ GAA P10253 1/20 0.31

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
SCHEMBL15132896 0.89 PSIP1 (0.40) PSIP1ALDH1A1HTTCASP3MPO
SCHEMBL12992709 0.89 PSIP1 (0.45) PSIP1ALDH1A1LMNAKMT2AMEN1
SCHEMBL10157239 0.84 MEN1 (0.45) PSIP1HTTCASP3SMN1; SMN2L3MBTL1
SCHEMBL12877419 0.80 PSIP1 (0.39) PSIP1CYP3A4
SCHEMBL12533466 0.76 PSIP1 (0.32) PSIP1
SCHEMBL12533452 0.76 PSIP1 (0.32) PSIP1
SCHEMBL12533465 0.76 PSIP1 (0.34) PSIP1
SCHEMBL15415247 0.75 PSIP1 (0.32) PSIP1
SCHEMBL15415249 0.75 PSIP1 (0.32) PSIP1
SCHEMBL12604402 0.74 PSIP1 (0.31) PSIP1

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-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
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

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 PSIP1 978/4885ALDH1A1 3557/4885HTT 3421/4885

“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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