SCHEMBL4137206

SCHEMBL4137206

CC(C)(C)OC(=O)N1CCN(C(N)=O)CC1.O=S(=O)(O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
STS P08842 4/20 0.50
TACR1 P25103 5/20 0.47
TGFBR1 P36897 2/20 0.44
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
CETP P11597 1/20 0.40
ALDH1A1 P00352 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
MET P08581 1/20 0.38
DDR1 Q08345 1/20 0.38
EPHX2 P34913 1/20 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
SCHEMBL4131317 0.82 STS (0.56) STSTACR1TGFBR1MAPTGPR119
SCHEMBL4137213 0.76 STS (0.39) STSTACR1TGFBR1MAPTCYP2D6
SCHEMBL3040315 0.72 TACR1 (0.55) STSTACR1MAPTCYP2D6TSHR
SCHEMBL20151867 0.72 TSHR (0.58) STSTACR1MAPTCYP2D6TSHR
SCHEMBL23217017 0.71 STS (0.54) STSTACR1MAPTMEN1KMT2A
SCHEMBL8662177 0.71 USP2 (0.58) MAPTMEN1KMT2AALDH1A1GPR119
SCHEMBL447202 0.70 CYP2D6 (0.53) STSTACR1MAPTCYP2D6TSHR
SCHEMBL3033184 0.70 TACR1 (0.52) STSTACR1MEN1KMT2ACYP2D6
Hydrochloric Acid SCHEMBL29190718 0.69 USP2 (0.56) MAPTMEN1KMT2AALDH1A1GPR119
SCHEMBL20137044 0.69 CYP2D6 (0.54) STSTACR1MAPTCYP2D6TSHR

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 1098/4885TGFBR1 3932/4885

“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.