SCHEMBL3176672

SCHEMBL3176672

CCOP(=O)(C/C=C/COc1cccc(C(=O)OC)c1)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
TP53 P04637 2/20 0.43
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
POLB P06746 3/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
KMT2A Q03164 3/20 0.41
BLM P54132 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
HPGD P15428 3/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL3176676 1.00 CYSLTR1 (0.45) CYSLTR1MRGPRX4SMN1; SMN2TP53RAB9A
SCHEMBL13531014 0.88 KMT2A (0.51) SMN1; SMN2RAB9ANPC1POLBCASP3
SCHEMBL13529582 0.87 RAB9A (0.40) SMN1; SMN2TP53RAB9ANPC1POLB
SCHEMBL12150147 0.79 HTT (0.43) SMN1; SMN2RAB9ANPC1POLBKMT2A
SCHEMBL13529949 0.79 CYP3A4 (0.53) TP53ALDH1A1
SCHEMBL29960309 0.79 CYSLTR1 (0.51) CYSLTR1MRGPRX4SMN1; SMN2TP53RAB9A
SCHEMBL31589814 0.79 CYSLTR1 (0.53) CYSLTR1MRGPRX4SMN1; SMN2TP53RAB9A
SCHEMBL7949450 0.79 CYSLTR1 (0.53) CYSLTR1MRGPRX4SMN1; SMN2TP53RAB9A
SCHEMBL31442462 0.77 SMN1; SMN2 (0.58) CYSLTR1MRGPRX4SMN1; SMN2TP53RAB9A
SCHEMBL644216 0.77 SMN1; SMN2 (0.58) CYSLTR1MRGPRX4SMN1; SMN2TP53RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 US disclosed
US-20090181930-A1 KINASE INHIBITORY PHOSPHONATE ANALOGS CANNIZZARO CARINA 2009-07-16 US disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 US disclosed
US-7417055-B2 Kinase inhibitory phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-08-26 US disclosed
US-20060079478-A1 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. 2006-04-13 US disclosed
EP-1620109-A2 KINASE INHIBITOR PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2006-02-01 EP disclosed
EP-1617848-A2 ANTI-CANCER PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2006-01-25 EP disclosed
US-20050261253-A1 Kinase inhibitory phosphonate analogs GILEAD SCIENCES, INC. 2005-11-24 US disclosed
WO-2004096235-A2 ANTI-CANCER PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2004-11-11 WO disclosed
WO-2004096234-A2 KINASE INHIBITOR PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2004-11-11 WO 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 (4 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-20050261253-A1 Kinase inhibitory phosphonate analogs PIK3CA, PNKP, PIK3CB CYSLTR1 4456/4885MRGPRX4 4392/4885SMN1; SMN2 4005/4885
US-20060079478-A1 Anti-cancer phosphonate analogs PIK3CA, PHOSPHO1, PTEN CYSLTR1 4673/4885MRGPRX4 4453/4885SMN1; SMN2 3947/4885
US-20090181930-A1 KINASE INHIBITORY PHOSPHONATE ANALOGS PIK3CA, PNKP, PIK3CB CYSLTR1 4456/4885MRGPRX4 4392/4885SMN1; SMN2 4005/4885
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS PIK3CA, PHOSPHO1, PTEN CYSLTR1 4673/4885MRGPRX4 4453/4885SMN1; SMN2 3947/4885

“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.