SCHEMBL1105939

SCHEMBL1105939

Cc1ncc(C(=O)O)nc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
ALOX15 P16050 3/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GPR35 Q9HC97 1/20 0.41
SIRT6 Q8N6T7 1/20 0.39
KDM4E B2RXH2 5/20 0.39
HCAR2 Q8TDS4 3/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 3/20 0.38
NAPRT Q6XQN6 2/20 0.38
MEN1 O00255 1/20 0.37
ACMSD Q8TDX5 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
AKR1B1 P15121 1/20 0.37
P4HA1 P13674 1/20 0.36
MIF P14174 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
SCHEMBL23623115 0.86 SMN1; SMN2 (0.38) ALDH1A1HPGDALOX15HSD17B10MAPK1
SCHEMBL4221972 0.83 ALDH1A1 (0.46) ALDH1A1HPGDALOX15HSD17B10MAPK1
SCHEMBL29488827 0.83 ALDH1A1 (0.46) ALDH1A1HPGDALOX15HSD17B10MAPK1
SCHEMBL702638 0.83 ALOX15 (0.48) ALDH1A1HPGDALOX15HSD17B10MAPK1
SCHEMBL30112000 0.83 ALOX15 (0.48) ALDH1A1HPGDALOX15HSD17B10MAPK1
SCHEMBL23623116 0.81 MAPK1 (0.43) ALDH1A1MAPK1SMN1; SMN2KDM4EKMT2A
SCHEMBL11265141 0.80 ALOX15 (0.50) ALDH1A1HPGDALOX15HSD17B10MAPK1
SCHEMBL10335107 0.79 ALOX15 (0.46) ALDH1A1HPGDALOX15HSD17B10MAPK1
SCHEMBL25467254 0.78 ALDH1A1 (0.44) ALDH1A1HPGDALOX15HSD17B10MAPK1
SCHEMBL1105943 0.78 ALOX15 (0.44) ALDH1A1HPGDALOX15HSD17B10MAPK1

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
WO-2021138434-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2021-07-08 WO 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-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 (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-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF CASR, CYP2R1, HCAR1 ALDH1A1 1644/4885HPGD 1763/4885ALOX15 2533/4885

“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.