SCHEMBL4137209

SCHEMBL4137209

CC(C)(C)OC(=O)N(N1CCNCC1)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
CETP P11597 2/20 0.39
TRPV4 Q9HBA0 1/20 0.39
TACR1 P25103 7/20 0.38
STS P08842 1/20 0.38
DDR1 Q08345 2/20 0.38
ADRB1 P08588 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
TGFBR1 P36897 1/20 0.34
GUSB P08236 1/20 0.34
IDH1 O75874 1/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1B Q00975 1/20 0.33
CACNA1C Q13936 1/20 0.33

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
SCHEMBL4131320 0.83 STS (0.42) CETPSTSDDR1ADRB1PSEN1
SCHEMBL4137213 0.74 STS (0.39) CETPTRPV4TACR1STSDDR1
SCHEMBL4137206 0.67 STS (0.50) CETPTACR1STSDDR1CYP2D6
SCHEMBL15844894 0.66 TACR1 (0.52) TACR1ADRB1CYP2D6
SCHEMBL13887001 0.65 CACNA1H (0.54) TACR1CACNA1BCACNA1C
SCHEMBL28323575 0.65 CYP2D6 (0.48) DDR1CYP2D6TSHR
SCHEMBL2935441 0.64 CACNA1G (0.55) CETPTACR1CACNA1GCACNA1BCACNA1C
SCHEMBL9390352 0.63 SLC6A2 (0.38)
SCHEMBL7981520 0.63 CACNA1H (0.44) CETPTACR1PSEN1PSEN2APH1B
SCHEMBL30802393 0.61 CTSD (0.33)

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 CETP 4475/4885TRPV4 3884/4885TACR1 1098/4885

“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.