Sugi Predict

Sugi Predict / Compounds / SCHEMBL278779

SCHEMBL278779

SCHEMBL278779

CC(C)(C)c1cc(-c2ccc(F)cc2)ccc1N

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ HDAC2 Q92769 8/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KIF11 P52732 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.37
▸ HDAC1 Q13547 6/20 0.37
▸ HDAC3 O15379 5/20 0.37
▸ FFAR4 Q5NUL3 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.35
▸ AGXT P21549 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
SCHEMBL2154357 0.88 PGR (0.50) PGRALDH1A1TDP1CYP3A4TSHR
SCHEMBL279009 0.84 ALDH1A1 (0.50) PGRALDH1A1PTGS1PTGS2MEN1
SCHEMBL279178 0.82 PGR (0.51) PGRALDH1A1TDP1CYP3A4TSHR
SCHEMBL26179235 0.82 PTGS1 (0.42) PGRPTGS1PTGS2KIF11AGXT
Formaldehyde SCHEMBL22802137 0.82 PGR (0.46) PGRALDH1A1TDP1CYP3A4TSHR
Sulfur Dioxide SCHEMBL20572991 0.80 PGR (0.45) PGRALDH1A1TDP1CYP3A4TSHR
SCHEMBL7768449 0.77 ALDH1A1 (0.53) ALDH1A1TDP1TSHRPTGS1PTGS2
SCHEMBL2698015 0.77 HDAC1 (0.41) ALDH1A1HDAC2PTGS1PTGS2MEN1
SCHEMBL2695098 0.77 GRM5 (0.39) ALDH1A1PTGS1PTGS2FFAR4
SCHEMBL9910015 0.75 MEN1 (0.38) ALDH1A1TDP1CYP3A4TSHRPTGS1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431610-B2 Alkanoylamino benzamide aniline HDAC inhibitor compounds GILEAD SCIENCES, INC. (US) 2013-04-30 — — US disclosed
US-8344018-B2 Oxindolyl inhibitor compounds GILEAD SCIENCES, INC. (US) 2013-01-01 — — US disclosed
US-20120301426-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-11-29 — — US disclosed
US-8283357-B2 Cycloalkylcarbamate benzamide aniline HDAC inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-10-09 — — US disclosed
US-8258316-B2 Alkanoylamino benzamide aniline HDAC inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-09-04 — — US disclosed
US-8198299-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-06-12 — — US disclosed
US-8198299-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-06-12 — — US disclosed
US-8134000-B2 Imidazolyl pyrimidine inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-03-13 — — US disclosed
US-8134000-B2 Imidazolyl pyrimidine inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-03-13 — — US disclosed
US-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 — — US disclosed
US-8088771-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-01-03 — — US disclosed
US-8088771-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-01-03 — — US disclosed
US-20110135594-A1 OXINDOLYL INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2011-06-09 — — US disclosed
US-20100311794-A1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-12-09 — — US disclosed
US-20100310500-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-12-09 — — US disclosed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 — — US disclosed
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-01-28 — — US disclosed
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-01-28 — — US disclosed
US-20100009990-A1 IMIDAZOLYL PYRIMIDINE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-01-14 — — US disclosed
US-20100009990-A1 IMIDAZOLYL PYRIMIDINE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-01-14 — — 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 (7 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-20100009990-A1 IMIDAZOLYL PYRIMIDINE INHIBITOR COMPOUNDS HDAC1, CDK9, CDK2 PGR 1399/4885ALDH1A1 1714/4885TDP1 861/4885
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC7 PGR 1927/4885ALDH1A1 2855/4885TDP1 2366/4885
US-20100310500-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC7 PGR 3683/4885ALDH1A1 339/4885TDP1 2124/4885
US-20120301426-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC7 PGR 3683/4885ALDH1A1 339/4885TDP1 2124/4885
US-20100311794-A1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC3 PGR 4111/4885ALDH1A1 739/4885TDP1 2289/4885
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 PGR 3073/4885ALDH1A1 957/4885TDP1 2525/4885
US-20110135594-A1 OXINDOLYL INHIBITOR COMPOUNDS HDAC1, HDAC8, HDAC11 PGR 1491/4885ALDH1A1 1388/4885TDP1 1675/4885

“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.