SCHEMBL16750040

SCHEMBL16750040

COCC(NC(C)C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 4/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ TGFBR1 P36897 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ACE P12821 1/20 0.38
▸ FOLH1 Q04609 2/20 0.36
▸ NAALAD2 Q9Y3Q0 2/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA3 P07451 1/20 0.36
▸ CA4 P22748 1/20 0.36
▸ CA6 P23280 1/20 0.36
▸ CA5A P35218 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CACNA1C Q13936 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ CA9 Q16790 1/20 0.36

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
SCHEMBL20698367 1.00 MME (0.39) MMEALDH1A1TGFBR1MEN1LMNA
SCHEMBL19483470 0.81 CA12 (0.32) MEN1KMT2ACA12CA1CA2
SCHEMBL23177702 0.81 ECE1 (0.33) MEN1KMT2ACA12CA1CA2
SCHEMBL12835468 0.79 ALDH1A1 (0.38) MMEALDH1A1TGFBR1MEN1LMNA
SCHEMBL10308359 0.79 ALDH1A1 (0.36) MMEALDH1A1TGFBR1MEN1LMNA
SCHEMBL5328100 0.77 — —
SCHEMBL516203 0.77 — —
SCHEMBL2600862 0.77 — —
SCHEMBL516204 0.77 — —
SCHEMBL14969737 0.77 ALDH1A1 (0.37) MMEALDH1A1TGFBR1MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9416111-B2 Substituted diazine and triazine spleen tyrosine kinease (Syk) inhibitors MERCK SHARP & DOHME CORP. (US) 2016-08-16 — — US disclosed
US-9376418-B2 Substituted pyridine spleen tyrosine kinase (SYK) inhibitors MERCK SHARP & DOHME CORP. (US) 2016-06-28 — — US disclosed
US-20150166486-A1 SUBSTITUTED DIAZINE AND TRIAZINE SPLEEN TYROSINE KINEASE (SYK) INHIBITORS MERCK SHARP & DOHME LLC 2015-06-18 — — 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 (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-20150166486-A1 SUBSTITUTED DIAZINE AND TRIAZINE SPLEEN TYROSINE KINEASE (SYK) INHIBITORS SYK, ZAP70, TYRO3 MME 1940/4885ALDH1A1 4142/4885TGFBR1 2247/4885
US-20150148327-A1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS SYK, BTK, LYN MME 3558/4885ALDH1A1 4035/4885TGFBR1 1849/4885

“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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