SCHEMBL1105941

SCHEMBL1105941

Cc1ccc(C(=O)O)nc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 3/20 0.42
MAPT P10636 3/20 0.42
RAB9A P51151 1/20 0.42
ALOX15 P16050 2/20 0.42
TSHR P16473 2/20 0.42
ACMSD Q8TDX5 1/20 0.42
MGAM O43451 1/20 0.39
DHODH Q02127 1/20 0.38
SORT1 Q99523 2/20 0.38
P4HA1 P13674 1/20 0.37
MIF P14174 1/20 0.37
P4HTM Q9NXG6 1/20 0.37
CBLB Q13191 1/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 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
SCHEMBL25690219 0.81 PTPN1 (0.42) RAB9ACBLBKMT2AMEN1CYP3A4
SCHEMBL27087492 0.79 KDM4E (0.44) KDM4EL3MBTL1TDP1MAPTRAB9A
SCHEMBL22234858 0.79 KDM4E (0.43) KDM4EL3MBTL1TDP1MAPTRAB9A
SCHEMBL24775003 0.78 KDM4E (0.42) KDM4EL3MBTL1TDP1ALOX15TSHR
SCHEMBL27088325 0.77 KDM4E (0.60) KDM4EL3MBTL1TDP1MAPTRAB9A
SCHEMBL30002828 0.77 KDM4E (0.60) KDM4EL3MBTL1TDP1MAPTRAB9A
SCHEMBL3881447 0.74 KDM4E (0.51) KDM4EL3MBTL1TDP1MAPTRAB9A
SCHEMBL701941 0.74 KDM4E (0.60) KDM4EL3MBTL1TDP1MAPTRAB9A
SCHEMBL14152072 0.74 CNR2 (0.63) KDM4EL3MBTL1TDP1MAPTRAB9A
SCHEMBL29682888 0.73 HPGD (0.41) KDM4EL3MBTL1TDP1MAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDM4E 2417/4885L3MBTL1 2226/4885TDP1 3241/4885

“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.