SCHEMBL634302

SCHEMBL634302

CCC(C(=O)O)c1nc(C)cs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
ESR2 Q92731 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 2/20 0.36
AKR1C3 P42330 3/20 0.36
AKR1C2 P52895 3/20 0.36
AKR1C1 Q04828 1/20 0.36
GAA P10253 1/20 0.36
PTGS1 P23219 1/20 0.36
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
PTPRB P23467 1/20 0.35

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
SCHEMBL1846532 0.85 POLB (0.45) POLBESR2HSD17B10L3MBTL1NPC1
SCHEMBL27735652 0.79 PDE5A (0.36) POLBHSD17B10L3MBTL1AKR1C3AKR1C2
SCHEMBL23053339 0.77 HSD17B10 (0.43) POLBESR2HSD17B10L3MBTL1NPC1
SCHEMBL13151648 0.77 ESR2 (0.43) POLBESR2HSD17B10L3MBTL1NPC1
SCHEMBL3549501 0.74 SMN1; SMN2 (0.41) POLBESR2HSD17B10L3MBTL1NPC1
SCHEMBL30792204 0.73 CA2 (0.38) POLBESR2HSD17B10L3MBTL1NPC1
SCHEMBL3718297 0.72 ESR2 (0.40) POLBESR2HSD17B10L3MBTL1NPC1
SCHEMBL4476254 0.72 POLB (0.40) POLBNPC1RAB9AMAPTAKR1C3
SCHEMBL14234083 0.72 SMN1; SMN2 (0.40) POLBESR2HSD17B10L3MBTL1NPC1
SCHEMBL13103844 0.72 SMN1; SMN2 (0.40) POLBESR2HSD17B10L3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108473484-A Compounds useful as TRPM8 modulators 赛诺米克斯公司 2018-08-31 CN disclosed
US-20120095064-A1 (PYRAZOL-3-YL)-1,3,4-THIADIAZOL-2-AMINE AND (PYRAZOL-3-YL)-1,3,4-THIAZOL-2-AMINE COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-04-19 US disclosed
EP-2419426-A1 ( PYRAZOL-3-YL) -1, 3, 4-THIADIAZOL-2-AMINE AND ( PYRAZOL-3-YL) -1, 3, 4-THIAZOL-2-AMINE COMPOUNDS Glaxo Group Limited (GB) 2012-02-22 EP 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-20120095064-A1 (PYRAZOL-3-YL)-1,3,4-THIADIAZOL-2-AMINE AND (PYRAZOL-3-YL)-1,3,4-THIAZOL-2-AMINE COMPOUNDS H1-3, CHRM2, TBL3 POLB 3945/4885ESR2 627/4885HSD17B10 3880/4885

“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.