SCHEMBL1105993

SCHEMBL1105993

Cc1cnc(C(=O)O)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HCAR2 Q8TDS4 2/20 0.42
KMO O15229 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 1/20 0.38
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 1/20 0.36
GPR35 Q9HC97 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL10002413 0.82 PARP1 (0.42) ALDH1A1KDM4ESMN1; SMN2RAB9ANPC1
SCHEMBL9779776 0.80 ALDH1A1 (0.40) HCAR2TRPM8ALDH1A1KDM4EMAPT
SCHEMBL362121 0.80 ALDH1A1 (0.47) MEN1KMT2AHCAR2KMOTDP1
SCHEMBL29837373 0.80 ALDH1A1 (0.47) MEN1KMT2AHCAR2KMOTDP1
SCHEMBL24661703 0.79 ATM (0.47) MEN1KMT2ATDP1ALDH1A1KDM4E
SCHEMBL7190906 0.79 HCAR2 (0.45) MEN1KMT2AHCAR2ALDH1A1KDM4E
SCHEMBL287761 0.79 LMNA (0.47) MEN1KMT2AHCAR2TDP1ALDH1A1
Hydrochloric Acid SCHEMBL9779721 0.78 ALDH1A1 (0.39) TRPM8ALDH1A1KDM4EMAPTGLA
SCHEMBL22363326 0.78 GAA (0.41) MEN1KMT2ATDP1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL20139726 0.78 LMNA (0.46) MEN1KMT2AHCAR2TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4271674-A1 CARBOXY-BENZIMIDAZOLE GLP-1R MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2023-11-08 EP disclosed
WO-2022225914-A1 CARBOXY-BENZIMIDAZOLE GLP-1R MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2022-10-27 WO disclosed
US-8658657-B2 2014-02-25 US disclosed
US-8153658-B2 Piperidine derivative or salt thereof ASTELLAS PHARMA, INC. (JP) 2012-04-10 US disclosed
US-8153658-B2 Piperidine derivative or salt thereof ASTELLAS PHARMA, INC. (JP) 2012-04-10 US disclosed
US-20110237576-A1 2-AMINOPYRIMIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVES BOTH HAVING BACE1-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2011-09-29 US disclosed
US-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-02-04 US disclosed
US-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-02-04 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-20110237576-A1 2-AMINOPYRIMIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVES BOTH HAVING BACE1-INHIBITING ACTIVITY BACE1, APP, BACE2 MEN1 1150/4885KMT2A 1020/4885HCAR2 1188/4885
US-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF CASR, CYP2R1, HCAR1 MEN1 4104/4885KMT2A 2134/4885HCAR2 16/4885

“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.