SCHEMBL4250031

SCHEMBL4250031

N#CCS(=O)(=O)Cc1ccc(C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 4/20 0.44
TAS2R14 Q9NYV8 1/20 0.42
TP53 P04637 1/20 0.41
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41
CA3 P07451 2/20 0.41
CA6 P23280 2/20 0.41
CA5A P35218 2/20 0.41
CA7 P43166 2/20 0.41
CA5B Q9Y2D0 2/20 0.41
CA4 P22748 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
CYP2C19 P33261 1/20 0.39
SRD5A2 P31213 2/20 0.38

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
SCHEMBL11581819 0.83 TSHR (0.58) TSHRHSD17B10ALDH1A1KMT2ATP53
SCHEMBL1169955 0.80 CA1 (0.48) TSHRHSD17B10ALDH1A1KMT2ACA1
SCHEMBL1018823 0.78 ALDH1A1 (0.61) TSHRHSD17B10ALDH1A1KMT2ATP53
SCHEMBL3237371 0.77 TSHR (0.56) TSHRHSD17B10ALDH1A1KMT2ATAS2R14
SCHEMBL4071279 0.77 KMT2A (0.41) ALDH1A1KMT2AKDM4EMEN1GAA
SCHEMBL3979519 0.77 KMT2A (0.50) HSD17B10ALDH1A1KMT2ATP53CA12
SCHEMBL4075954 0.75 TSHR (0.54) TSHRHSD17B10ALDH1A1KMT2ATAS2R14
SCHEMBL8997396 0.75 TSHR (0.50) TSHRHSD17B10ALDH1A1KMT2ATP53
SCHEMBL14426992 0.74 ALDH1A1 (0.55) TSHRHSD17B10ALDH1A1KMT2ATAS2R14
SCHEMBL211305 0.74 ALDH1A1 (0.54) TSHRALDH1A1KMT2ATP53CA12

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-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 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-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS GABBR1, GABBR2, CHRM2 TSHR 289/4885HSD17B10 2536/4885ALDH1A1 204/4885

“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.