SCHEMBL4131323

SCHEMBL4131323

CC(C)(C)OC(=O)NC(=O)N1CCNCC1.O=C(NS(=O)(=O)O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 2/20 0.43
DDR1 Q08345 2/20 0.38
KCNH2 Q12809 1/20 0.36
CACNA1I Q9P0X4 1/20 0.36
USP2 O75604 3/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 1/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
HTR6 P50406 1/20 0.33
ADRB1 P08588 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
RAF1 P04049 1/20 0.33
BRAF P15056 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
SCHEMBL4137213 0.83 STS (0.39) STSDDR1MAPTCYP2D6TSHR
SCHEMBL4131317 0.76 STS (0.56) STSMAPT
SCHEMBL4738498 0.75 EPHX2 (0.38) USP2
SCHEMBL4131320 0.74 STS (0.42) STSDDR1KCNH2CACNA1ILMNA
SCHEMBL14528538 0.73 CES2 (0.47) STSLMNAPSEN1PSEN2APH1B
SCHEMBL2916404 0.67 STS (0.55) STSMAPTPSEN1PSEN2APH1B
SCHEMBL2920158 0.66 STS (0.62) STSKCNH2CACNA1IPKM
SCHEMBL2385073 0.66 POLB (0.55) USP2CYP3A4CYP2C9MAPTLMNA
SCHEMBL2921629 0.65 STS (0.53) STSCYP3A4MAPTCYP2D6TSHR
SCHEMBL13979562 0.64 GAA (0.38)

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 5 patents. 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
US-7439362-B2 Piperazinyl-or piperidinylamine-sulfamic acid amides as inhibitors of steroid sulfatase NOVARTIS AG (CH) 2008-10-21 US disclosed
US-20060052393-A1 Piperazinyl-or piperidinylamine-sulfamic acid amides as inhibitors of steroid sulfatase NOVARTIS AG (CH) 2006-03-09 US disclosed
EP-1492782-A1 PIPERAZINYL- OR PIPERIDINYLAMINE-SULFAMIC ACID AMIDES AS INHIBITORS OF STEROID SULFATASE Novartis AG (CH) 2005-01-05 EP disclosed
WO-2003082842-A1 PIPERAZINYL- OR PIPERIDINYLAMINE-SULFAMIC ACID AMIDES AS INHIBITORS OF STEROID SULFATASE NOVARTIS AG (CH) 2003-10-09 WO 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 (2 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 1/4885DDR1 3648/4885KCNH2 4569/4885
US-20060052393-A1 Piperazinyl-or piperidinylamine-sulfamic acid amides as inhibitors of steroid sulfatase STS, SELENOI, SULT2A1 STS 1/4885DDR1 4410/4885KCNH2 4252/4885

“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.