SCHEMBL14249281

SCHEMBL14249281

CCOC(=O)c1cnc(S)n1-c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
RAB9A P51151 1/20 0.47
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
CHRNA7 P36544 2/20 0.44
HTT P42858 2/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.42
TGFBR1 P36897 1/20 0.41
TSHR P16473 1/20 0.41
SLC5A1 P13866 1/20 0.41
SLC5A2 P31639 1/20 0.41

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
SCHEMBL4035995 0.89 IDO1 (0.49) POLBNPC1LMNARAB9AHTT
SCHEMBL14249218 0.84 LMNA (0.47) POLBNPC1LMNARAB9AGABRA2
SCHEMBL14248904 0.83 POLB (0.46) POLBNPC1LMNARAB9AGABRA2
SCHEMBL14248701 0.82 POLB (0.45) POLBNPC1LMNARAB9AGABRA2
SCHEMBL22200913 0.80 TSHR (0.47) NPC1LMNARAB9AGABRA2GABRB2
SCHEMBL14248834 0.79 TDP1 (0.48) HPGDMEN1KMT2AALDH1A1MAPK1
SCHEMBL14249518 0.76 GABRA2 (0.49) POLBNPC1LMNARAB9AGABRA2
SCHEMBL14248954 0.76 GRM5 (0.34) POLBNPC1RAB9AHPGDMEN1
SCHEMBL31082928 0.76 GAA (0.50) LMNAHTTHPGDKMT2AMAPT
SCHEMBL14317897 0.76 MAPK1 (0.48) POLBNPC1LMNARAB9AGABRA2

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
US-8703776-B2 Agonists of GPR131 and uses thereof CYMABAY THERAPEUTICS, INC. (US) 2014-04-22 US disclosed
US-8703776-B2 Agonists of GPR131 and uses thereof CYMABAY THERAPEUTICS, INC. (US) 2014-04-22 US disclosed
US-8703776-B2 Agonists of GPR131 and uses thereof CYMABAY THERAPEUTICS, INC. (US) 2014-04-22 US disclosed
US-20130059856-A1 AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. 2013-03-07 US disclosed
US-20130059856-A1 AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. 2013-03-07 US disclosed
US-20130059856-A1 AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. 2013-03-07 US disclosed
WO-2012174164-A2 AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. (US) 2012-12-20 WO disclosed
WO-2012174164-A2 AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. (US) 2012-12-20 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-20130059856-A1 AGONISTS OF GPR131 AND USES THEREOF GPR119, GPR88, GPR27 POLB 4636/4885NPC1 872/4885LMNA 3890/4885

“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.