SCHEMBL4955149

SCHEMBL4955149

Cc1cccc2c1C(=O)C(CO)CS2.O=C(O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.41
HTR7 P34969 1/20 0.41
GAA P10253 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MRGPRX4 Q96LA9 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
ADORA1 P30542 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NR4A2 P43354 1/20 0.38
CES2 O00748 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
EGFR P00533 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ENPP2 Q13822 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
SCHEMBL29433907 0.69 SRD5A2 (0.77) SRD5A2KMT2AMEN1ALDH1A1MRGPRX4
SCHEMBL40186 0.69 SRD5A2 (0.77) SRD5A2KMT2AMEN1ALDH1A1MRGPRX4
SCHEMBL2155996 0.68 GAA (0.38) GAAKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL28119414 0.68 SRD5A2 (0.74) SRD5A2KMT2AMEN1ALDH1A1MRGPRX4
Hydrochloric Acid SCHEMBL10387616 0.68 SRD5A2 (0.74) SRD5A2KMT2AMEN1ALDH1A1MRGPRX4
SCHEMBL28127726 0.68 SRD5A2 (0.74) SRD5A2KMT2AMEN1ALDH1A1MRGPRX4
SCHEMBL29208534 0.68 SRD5A2 (0.74) SRD5A2KMT2AMEN1ALDH1A1MRGPRX4
Hydrochloric Acid SCHEMBL30596522 0.68 SRD5A2 (0.74) SRD5A2KMT2AMEN1ALDH1A1MRGPRX4
Fluoride SCHEMBL11120479 0.68 SRD5A2 (0.74) SRD5A2KMT2AMEN1ALDH1A1MRGPRX4
SCHEMBL29202295 0.67 SRD5A2 (0.64) SRD5A2KMT2AMEN1MRGPRX4NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080161352-A1 Substituted Benzo-Condensed Cycloheptanone Derivatives and the Use Thereof for Medicament Production GRUENENTHAL GMBH (DE) 2008-07-03 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-20080161352-A1 Substituted Benzo-Condensed Cycloheptanone Derivatives and the Use Thereof for Medicament Production BCKDK, SYMPK, DHPS SRD5A2 485/4885HTR7 711/4885GAA 973/4885

“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.