SCHEMBL12877159

SCHEMBL12877159

Cc1nc2ccccc2c(I)c1[C@@H](COC(=O)C(C)(C)C)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ GBA1 P04062 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ PSIP1 O75475 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.35
▸ EDNRA P25101 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ GLA P06280 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ PRNP P04156 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ PRKCA P17252 1/20 0.34
▸ PRKCD Q05655 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
SCHEMBL12891216 0.86 CYP3A4 (0.37) MEN1KMT2AMAPTCYP3A4SMN1; SMN2
SCHEMBL10157173 0.85 MEN1 (0.41) MEN1KMT2AGBA1MAPTRECQL
SCHEMBL10157172 0.83 GPR3 (0.37) MEN1KMT2ACYP3A4SMN1; SMN2LMNA
SCHEMBL10157235 0.79 MEN1 (0.43) MEN1KMT2AMAPTCYP3A4SMN1; SMN2
SCHEMBL10157230 0.78 CYP3A4 (0.48) MEN1KMT2AMAPTCYP3A4SMN1; SMN2
SCHEMBL16258491 0.78 CYP3A4 (0.48) MEN1KMT2AMAPTCYP3A4SMN1; SMN2
SCHEMBL10157239 0.77 MEN1 (0.45) MEN1KMT2ACYP3A4SMN1; SMN2LMNA
SCHEMBL15800528 0.76 MEN1 (0.42) MEN1KMT2AGBA1MAPTRECQL
SCHEMBL12992667 0.74 CYP3A4 (0.48) MEN1KMT2AGBA1MAPTRECQL
SCHEMBL1699553 0.72 LMNA (0.36) MEN1KMT2AGBA1MAPTRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2757096-A9 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2014-11-26 — — EP disclosed
US-20140296228-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES, INC. (US) 2014-10-02 — — US disclosed
US-20140296228-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES, INC. (US) 2014-10-02 — — US disclosed
EP-2757096-A1 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2014-07-23 — — EP disclosed
US-20130197231-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES, INC. (US) 2013-08-01 — — US disclosed
US-20130197231-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES, INC. (US) 2013-08-01 — — US disclosed
US-20130190491-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES, INC. (US) 2013-07-25 — — US disclosed
US-20130190491-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES, INC. (US) 2013-07-25 — — US disclosed
US-8377960-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2013-02-19 — — US disclosed
US-8354429-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2013-01-15 — — US disclosed
US-8354429-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2013-01-15 — — US disclosed
US-20110028464-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2011-02-03 — — US disclosed
US-20100311735-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-12-09 — — US disclosed
US-20100311735-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-12-09 — — 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 (5 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 MEN1 4098/4885KMT2A 2634/4885GBA1 2706/4885
US-20130190491-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, RTF1 MEN1 4098/4885KMT2A 2634/4885GBA1 2706/4885
US-20140296228-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, POLR1E MEN1 3777/4885KMT2A 3472/4885GBA1 2298/4885
US-20130197231-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, POLR1E MEN1 3777/4885KMT2A 3472/4885GBA1 2298/4885
US-20100311735-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, POLR1E MEN1 3777/4885KMT2A 3472/4885GBA1 2298/4885

“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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