SCHEMBL4131320

SCHEMBL4131320

CC(C)(C)OC(=O)N(N1CCNCC1)S(=O)(=O)NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.42
DDR1 Q08345 4/20 0.39
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
KCNH2 Q12809 1/20 0.37
CACNA1I Q9P0X4 1/20 0.37
ADRB1 P08588 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
HTR6 P50406 1/20 0.34
HDAC8 Q9BY41 4/20 0.34
IDH1 O75874 1/20 0.34
CETP P11597 1/20 0.34
HDAC3 O15379 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
CHRM4 P08173 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
SCHEMBL4137209 0.83 CETP (0.39) STSDDR1ADRB1PSEN1PSEN2
SCHEMBL4131323 0.74 STS (0.43) STSDDR1LMNATP53KCNH2
SCHEMBL4131317 0.67 STS (0.56) STSSCN9AGAA
SCHEMBL2916404 0.66 STS (0.55) STSPSEN1PSEN2APH1BNCSTN
SCHEMBL2920158 0.65 STS (0.62) STSKCNH2CACNA1ISCN9A
SCHEMBL2921629 0.65 STS (0.53) STSGAA
SCHEMBL14528538 0.64 CES2 (0.47) STSLMNAPSEN1PSEN2APH1B
Tert-Butyl Formate SCHEMBL27702432 0.64 KCNH2 (0.40) STSDDR1KCNH2CACNA1IHDAC8
SCHEMBL9390352 0.64 SLC6A2 (0.38) HTR6CHRM1
SCHEMBL5275495 0.63 STS (0.49) STSKCNH2CACNA1IPSEN1PSEN2

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 3648/4885LMNA 4098/4885
US-20060052393-A1 Piperazinyl-or piperidinylamine-sulfamic acid amides as inhibitors of steroid sulfatase STS, SELENOI, SULT2A1 STS 1/4885DDR1 4410/4885LMNA 4078/4885

“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.