SCHEMBL4137213

SCHEMBL4137213

CC(C)(C)OC(=O)NC(=O)N1CCNCC1.O=S(=O)(O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.39
TACR1 P25103 5/20 0.39
TRPV4 Q9HBA0 1/20 0.38
DDR1 Q08345 2/20 0.37
CETP P11597 1/20 0.36
MAPT P10636 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNA1B Q00975 1/20 0.35
CACNA1C Q13936 1/20 0.35
TGFBR1 P36897 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
NPC1 O15118 1/20 0.34
PLA2G1B P04054 1/20 0.34
PKM P14618 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34

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
SCHEMBL4131323 0.83 STS (0.43) STSDDR1MAPTCYP2D6TSHR
SCHEMBL4137206 0.76 STS (0.50) STSTACR1DDR1CETPMAPT
SCHEMBL4738498 0.75 EPHX2 (0.38) CA12CA1
SCHEMBL4137209 0.74 CETP (0.39) STSTACR1TRPV4DDR1CETP
SCHEMBL15844894 0.74 TACR1 (0.52) TACR1CYP2D6CACNA1HNPC1PLA2G1B
SCHEMBL13887001 0.69 CACNA1H (0.54) TACR1CACNA1HCACNA1BCACNA1CCCR2
SCHEMBL6447563 0.67 NAMPT (0.55) MAPTCA1NPC1
SCHEMBL7981520 0.67 CACNA1H (0.44) TACR1CETPCACNA1HCACNA1BCACNA1C
SCHEMBL7766588 0.66 NAMPT (0.48) NPC1PKM
SCHEMBL2385073 0.65 POLB (0.55) MAPT

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-20090042899-A1 Piperazinyl-or piperidinylamine-sulfamic acid amides as inhibitors of steroid sulfatase LEHR PHILIPP 2009-02-12 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-20090042899-A1 Piperazinyl-or piperidinylamine-sulfamic acid amides as inhibitors of steroid sulfatase STS, SULT2A1, ARSA STS 1/4885TACR1 1098/4885TRPV4 3884/4885

“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.