SCHEMBL16750076

SCHEMBL16750076

CC(C)C(C)(O)c1ccc(C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 3/20 0.55
▸ NR1H4 Q96RI1 3/20 0.50
▸ RARB P10826 1/20 0.50
▸ RARG P13631 1/20 0.50
▸ TP53 P04637 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ EPHX2 P34913 2/20 0.47
▸ RXRA P19793 4/20 0.46
▸ RXRB P28702 4/20 0.46
▸ RXRG P48443 1/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ NR4A2 P43354 1/20 0.42
▸ CA12 O43570 1/20 0.41

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
SCHEMBL17775052 0.82 MEN1 (0.40) TSHRKMT2AALDH1A1TDP1MEN1
SCHEMBL16750092 0.82 PARP10 (0.47) NR1H4TSHREPHX2KMT2AALDH1A1
SCHEMBL13360086 0.82 SRD5A2 (0.57) SRD5A2NR1H4RARBRARGTP53
SCHEMBL9578933 0.82 SRD5A2 (0.57) SRD5A2NR1H4RARBRARGTP53
SCHEMBL2246931 0.79 CA1 (0.50) TSHRKMT2AALDH1A1TDP1MEN1
SCHEMBL8432358 0.79 NR1H4 (0.50) SRD5A2NR1H4RARBRARGTP53
SCHEMBL13917839 0.79 SRD5A2 (0.63) SRD5A2NR1H4RARBRARGTP53
SCHEMBL107049 0.79 SRD5A2 (0.63) SRD5A2NR1H4RARBRARGTP53
SCHEMBL13956903 0.77 SRD5A2 (0.47) SRD5A2NR1H4RARBRARGTP53
Terephthalic Acid SCHEMBL31522303 0.77 TSHR (0.55) SRD5A2TP53TSHRKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9745295-B2 Thiazole-substituted aminoheteroaryls as spleen tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-29 — — US disclosed
US-9745295-B2 Thiazole-substituted aminoheteroaryls as spleen tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-29 — — US disclosed
US-9670196-B2 Thiazole-substituted aminoheteroaryls as Spleen Tyrosine Kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-06-06 — — US disclosed
US-9670196-B2 Thiazole-substituted aminoheteroaryls as Spleen Tyrosine Kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-06-06 — — US disclosed
US-20160326156-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-11-10 — — US disclosed
US-9376418-B2 Substituted pyridine spleen tyrosine kinase (SYK) inhibitors MERCK SHARP & DOHME CORP. (US) 2016-06-28 — — US disclosed
US-20160060255-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS MERCK CANADA INC. (CA) 2016-03-03 — — US disclosed
US-20150148327-A1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK CANADA INC. (CA) 2015-05-28 — — 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 (3 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-20160326156-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS SYK, BTK, TYRO3 SRD5A2 3632/4885NR1H4 1145/4885RARB 4410/4885
US-20160060255-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS SYK, TYRO3, BTK SRD5A2 2600/4885NR1H4 764/4885RARB 4459/4885
US-20150148327-A1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS SYK, BTK, LYN SRD5A2 3518/4885NR1H4 2738/4885RARB 4293/4885

“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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