SCHEMBL3706563

SCHEMBL3706563

Cc1[c]ncc(C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.48
TPMT P51580 1/20 0.46
HCAR1 Q9BXC0 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 5/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALOX15 P16050 2/20 0.40
TSHR P16473 1/20 0.40
HIF1A Q16665 1/20 0.40
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.39
DDO Q99489 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
NOTUM Q6P988 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4923797 0.83 CA5A (0.37) HCAR2TPMTKMT2ATSHRLMNA
SCHEMBL4930680 0.82 NNMT (0.42) LMNASMN1; SMN2
SCHEMBL3718350 0.79 ATM (0.53) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL4928977 0.79 ALDH1A1 (0.36) CYP2C9CYP2C19ALDH1A1KDM4EMEN1
SCHEMBL8721421 0.77 ALOX15 (0.41) HCAR2CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL4927199 0.76 CYP2C9 (0.54) CYP2C9CYP2C19MEN1KMT2ATSHR
SCHEMBL3717205 0.75 HCAR2 (0.48) HCAR2TPMTHCAR1ALDH1A1KDM4E
SCHEMBL3713189 0.75 HCAR2 (0.48) HCAR2HCAR1ALDH1A1KDM4EMEN1
SCHEMBL11731520 0.75 ALOX15 (0.45) HCAR2TPMTALDH1A1KDM4EMEN1
SCHEMBL11729556 0.75 HCAR2 (0.48) HCAR2CYP2C9CYP2C19ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2479165-A1 GLYCINE COMPOUND Astellas Pharma Inc. (JP) 2012-07-25 EP claimed
US-20120184520-A1 GLYCINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-07-19 US claimed
EP-2479165-B1 GLYCINE COMPOUND ASTELLAS PHARMA INC (JP) 2017-10-25 EP disclosed
US-8802679-B2 Glycine compound ASTELLAS PHARMA INC. (JP) 2014-08-12 US disclosed
EP-2479165-A1 GLYCINE COMPOUND Astellas Pharma Inc. (JP) 2012-07-25 EP disclosed
US-20120184520-A1 GLYCINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-07-19 US disclosed
WO-2010092342-A1 ORGANOSILICON COMPOUNDS AND THEIR USE AS THE MODULATORS OF THE TRPV1 RECEPTOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-19 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 (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-20120184520-A1 GLYCINE COMPOUND SLC5A1, AQP1, VAPB HCAR2 3140/4885TPMT 2462/4885HCAR1 2148/4885

“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.