SCHEMBL17536732

SCHEMBL17536732

COC(=O)[C@@H]1CC[C@@H](C=O)CC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 3/20 0.33
MAPT P10636 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP1A2 P05177 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
POLB P06746 1/20 0.32
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CASP1 P29466 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL17536733 1.00 ATM (0.34) ATML3MBTL1TSHRMAPTCYP3A4
SCHEMBL17536787 1.00 ATM (0.34) ATML3MBTL1TSHRMAPTCYP3A4
SCHEMBL15634878 0.81 APLNR (0.34)
SCHEMBL15634448 0.81 APLNR (0.34)
SCHEMBL31455496 0.79 GAA (0.33) MAPTKMT2APOLBGAANPSR1
SCHEMBL17040334 0.76 ATM (0.37) ATML3MBTL1TSHRMAPTCYP3A4
SCHEMBL31586618 0.76 ATM (0.36) ATML3MBTL1TSHRMAPTCYP3A4
Formic Acid SCHEMBL29200818 0.75 MAPT (0.38) ATML3MBTL1TSHRMAPTCYP3A4
SCHEMBL20825935 0.74 ATM (0.36) ATML3MBTL1TSHRMAPTCYP3A4
SCHEMBL22189923 0.74 ATM (0.36) ATML3MBTL1TSHRMAPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3083559-B1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME (US) 2021-03-10 EP disclosed
US-9822107-B2 Thiazole-substituted aminoheteroaryls as spleen tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-11-21 US disclosed
US-9745295-B2 Thiazole-substituted aminoheteroaryls as spleen tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-29 US disclosed
US-20160340351-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME LLC 2016-11-24 US disclosed
US-20160060255-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS MERCK CANADA INC. (CA) 2016-03-03 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 (2 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-20160340351-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS SYK, BTK, TYRO3 ATM 113/4885L3MBTL1 2792/4885TSHR 340/4885
US-20160060255-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS SYK, TYRO3, BTK ATM 145/4885L3MBTL1 2575/4885TSHR 944/4885

“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.