SCHEMBL14801909

SCHEMBL14801909

CC(C)(C)C1[C@H](NC(=O)OCc2ccccc2)[C@@H](C(F)F)CN1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
CPB1 P15086 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
DPP4 P27487 4/20 0.41
DPP7 Q9UHL4 4/20 0.41
NAAA Q02083 3/20 0.40
KCNH2 Q12809 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.40
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL14801236 1.00 ALDH1A1 (0.44) ALDH1A1GAACPB1CTSLCTSB
SCHEMBL28932011 0.86 ALDH1A1 (0.46) ALDH1A1GAACPB1CTSLCTSB
SCHEMBL23275255 0.85 ALDH1A1 (0.47) ALDH1A1GAACPB1CTSLCTSB
SCHEMBL3741628 0.85 ALDH1A1 (0.47) ALDH1A1GAACPB1CTSLCTSB
SCHEMBL2535000 0.85 ALDH1A1 (0.47) ALDH1A1GAACPB1CTSLCTSB
SCHEMBL2537464 0.85 ALDH1A1 (0.47) ALDH1A1GAACPB1CTSLCTSB
SCHEMBL20479381 0.80 CPB1 (0.45) ALDH1A1GAACPB1CTSLCTSB
SCHEMBL20974421 0.80 ALDH1A1 (0.42) ALDH1A1GAACPB1CTSLCTSB
SCHEMBL2540745 0.80 ALDH1A1 (0.42) ALDH1A1GAACPB1CTSLCTSB
SCHEMBL18342363 0.80 ALDH1A1 (0.42) ALDH1A1GAACPB1CTSLCTSB

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-2758402-B9 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER (US) 2016-09-14 EP disclosed
EP-2758402-B1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER (US) 2016-04-27 EP disclosed
US-20150203502-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER (US) 2015-07-23 US disclosed
US-9040547-B2 Pyrrolopyrimidine and purine derivatives PFIZER INC. (US) 2015-05-26 US disclosed
US-20130079324-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER INC. 2013-03-28 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-20130079324-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES TYMP, DPYD, TYMS ALDH1A1 2264/4885GAA 3431/4885CPB1 3697/4885
US-20150203502-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES TYMP, DPYD, TYMS ALDH1A1 2264/4885GAA 3431/4885CPB1 3697/4885

“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.