SCHEMBL3793590

SCHEMBL3793590

CC(C)(C)c1ccc(Cl)cc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 5/20 0.52
▸ TSHR P16473 4/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ ALOX15 P16050 2/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ TP53 P04637 1/20 0.50
▸ MAPK1 P28482 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ KMT2A Q03164 3/20 0.45
▸ GAA P10253 1/20 0.45
▸ PGR P06401 1/20 0.43
▸ ABL1 P00519 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38

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
SCHEMBL5111296 0.84 PGR (0.54) CYP3A4TSHRALDH1A1SMN1; SMN2ALOX15
SCHEMBL15458194 0.83 CYP3A4 (0.48) CYP3A4TSHRALDH1A1SMN1; SMN2ALOX15
SCHEMBL630528 0.82 CYP3A4 (0.52) CYP3A4TSHRALDH1A1SMN1; SMN2ALOX15
SCHEMBL13403326 0.78 MAPK1 (0.46) CYP3A4TSHRALDH1A1SMN1; SMN2ALOX15
SCHEMBL721823 0.77 TSHR (0.52) CYP3A4TSHRALDH1A1SMN1; SMN2ALOX15
SCHEMBL19252561 0.77 CYP3A4 (0.42) CYP3A4TSHRALDH1A1SMN1; SMN2ALOX15
SCHEMBL398357 0.76 CASP1 (0.48) CYP3A4TSHRALDH1A1SMN1; SMN2ALOX15
SCHEMBL799844 0.76 TSHR (0.62) CYP3A4TSHRALDH1A1SMN1; SMN2TDP1
SCHEMBL8220436 0.74 CYP3A4 (0.43) CYP3A4TSHRTDP1TP53MAPK1
SCHEMBL297275 0.74 ALDH1A1 (0.59) TSHRALDH1A1ALOX15TDP1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12269819-B2 Small molecule inhibitors of Galectin-3 BRISTOL-MYERS SQUIBB COMPANY (US) 2025-04-08 — — US disclosed
US-20220144818-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL MYERS SQUIBB CO (US) 2022-05-12 — — US disclosed
EP-3953349-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 Bristol-Myers Squibb Company (US) 2022-02-16 — — EP disclosed
CN-113710665-A Small molecule inhibitors of galectin-3 百时美施贵宝公司 2021-11-26 — — CN disclosed
US-20210147408-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL MYERS SQUIBB CO (US) 2021-05-20 — — US disclosed
US-10865216-B2 Tricyclic Gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-15 — — US disclosed
US-10858360-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-08 — — US disclosed
WO-2020210308-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL-MYERS SQUIBB COMPANY (US) 2020-10-15 — — WO disclosed
WO-2019067702-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-04 — — WO disclosed
US-20170369498-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-12-28 — — US disclosed
US-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 — — US disclosed
US-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 — — US disclosed
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME LLC 2015-09-03 — — US disclosed
US-20120238751-A1 TRICYCLIC GYRASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2012-09-20 — — US disclosed
US-20110224208-A1 NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2011-09-15 — — US disclosed
US-20110224208-A1 NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2011-09-15 — — US disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 — — US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 — — EP 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 (10 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-20120238751-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B CYP3A4 129/4885TSHR 4555/4885ALDH1A1 1898/4885
US-20210147408-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 LGALS3, LGALS1, LGALS3BP CYP3A4 4046/4885TSHR 1412/4885ALDH1A1 2893/4885
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B CYP3A4 108/4885TSHR 4598/4885ALDH1A1 1726/4885
US-10858360-B2 Tricyclic gyrase inhibitors TOP1, TOP2A, TOP2B CYP3A4 129/4885TSHR 4555/4885ALDH1A1 1898/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 CYP3A4 177/4885TSHR 1688/4885ALDH1A1 4339/4885
US-20110224208-A1 NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION MAVS, IRF3, EIF2AK2 CYP3A4 722/4885TSHR 4780/4885ALDH1A1 2613/4885
US-20170369498-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B CYP3A4 129/4885TSHR 4555/4885ALDH1A1 1898/4885
US-20220144818-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 LGALS3, LGALS3BP, LGALS1 CYP3A4 4118/4885TSHR 1479/4885ALDH1A1 3232/4885
US-12269819-B2 Small molecule inhibitors of Galectin-3 LGALS3, LGALS3BP, LGALS1 CYP3A4 4118/4885TSHR 1479/4885ALDH1A1 3232/4885
US-10865216-B2 Tricyclic Gyrase inhibitors TOP1, TOP2A, TOP2B CYP3A4 108/4885TSHR 4598/4885ALDH1A1 1726/4885

“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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