SCHEMBL3176795

SCHEMBL3176795

NC1CC(C(=O)O)(C(=O)O)C1.[NaH]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 6/20 0.37
CYP2C19 P33261 4/20 0.37
GRM6 O15303 4/20 0.37
CYP1A2 P05177 3/20 0.37
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
GRM8 O00222 2/20 0.37
ALOX15 P16050 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NSD2 O96028 1/20 0.35
ARG1 P05089 1/20 0.34
ARG2 P78540 1/20 0.34
GRM2 Q14416 6/20 0.33
GRM3 Q14832 4/20 0.33
GRM1 Q13255 3/20 0.33
GRM5 P41594 2/20 0.33

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
SCHEMBL13529287 0.97 GRM4 (0.39) GRM4CYP2C19GRM6CYP1A2ALDH1A1
SCHEMBL29280475 0.74 GRM4 (0.33) GRM4CYP2C19GRM6CYP1A2ALDH1A1
SCHEMBL27846113 0.74 GRM4 (0.35) GRM4CYP2C19GRM6CYP1A2ALDH1A1
SCHEMBL28017152 0.73 ALOX15 (0.35) ALDH1A1ALOX15MEN1KMT2AKDM4E
SCHEMBL571952 0.72
SCHEMBL5203259 0.71 CYP2C19 (0.35) GRM4CYP2C19GRM6CYP1A2ALDH1A1
SCHEMBL6686381 0.71 CYP2C19 (0.35) GRM4CYP2C19GRM6CYP1A2ALDH1A1
Hydrochloric Acid SCHEMBL25256584 0.70 GRM4 (0.36) GRM4CYP2C19GRM6CYP1A2ALDH1A1
SCHEMBL21570099 0.70
SCHEMBL21576489 0.70

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
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 US disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 US disclosed
US-20060079478-A1 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. 2006-04-13 US disclosed
EP-1617848-A2 ANTI-CANCER PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2006-01-25 EP disclosed
WO-2004096235-A2 ANTI-CANCER PHOSPHONATE ANALOGS 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 (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-20060079478-A1 Anti-cancer phosphonate analogs PIK3CA, PHOSPHO1, PTEN GRM4 3161/4885CYP2C19 4604/4885GRM6 2369/4885
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS PIK3CA, PHOSPHO1, PTEN GRM4 3161/4885CYP2C19 4604/4885GRM6 2369/4885

“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.