SCHEMBL16964293

SCHEMBL16964293

CC(NC(=O)O)C(O)CCl

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
TP53 P04637 1/20 0.32

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
SCHEMBL16876467 1.00 ALDH1A1 (0.38) ALDH1A1TSHRCYP2D6CYP2C19TP53
SCHEMBL15619355 1.00 ALDH1A1 (0.38) ALDH1A1TSHRCYP2D6CYP2C19TP53
SCHEMBL5378210 1.00 ALDH1A1 (0.38) ALDH1A1TSHRCYP2D6CYP2C19TP53
SCHEMBL16165213 0.79 CYP2D6 (0.36) ALDH1A1TSHRCYP2D6CYP2C19TP53
SCHEMBL20501441 0.79 CYP2D6 (0.36) ALDH1A1TSHRCYP2D6CYP2C19TP53
SCHEMBL20514366 0.78 CYP2D6 (0.38) ALDH1A1TSHRCYP2D6CYP2C19
SCHEMBL20514367 0.78 CYP2D6 (0.38) ALDH1A1TSHRCYP2D6CYP2C19
SCHEMBL16876210 0.78 CYP2D6 (0.38) ALDH1A1TSHRCYP2D6CYP2C19
SCHEMBL5631671 0.77 GABRR1 (0.34) CYP2D6CYP2C19TP53
SCHEMBL16164213 0.77 ALDH1A1 (0.42) ALDH1A1CYP2D6CYP2C19

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
EP-2900665-B1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK SHARP & DOHME (US) 2018-01-03 EP disclosed
US-9586931-B2 Triazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed
US-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK CANADA INC. (CA) 2015-08-27 US disclosed
EP-2900665-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-08-05 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 (1 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-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS SYK, BTK, TYRO3 ALDH1A1 3298/4885TSHR 1340/4885CYP2D6 2313/4885

“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.