SCHEMBL2905044

SCHEMBL2905044

CCOC(=O)Cc1cc(OS(=O)(=O)C(F)(F)F)cc(OS(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.38
HSD17B10 Q99714 3/20 0.36
LMNA P02545 3/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPSR1 Q6W5P4 3/20 0.36
GAA P10253 3/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 2/20 0.36
HPGD P15428 2/20 0.36
MAPK1 P28482 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL152873 0.92 MAOB (0.38) SMN1; SMN2HSD17B10LMNARAB9AALDH1A1
SCHEMBL153427 0.91 MAPT (0.39) SMN1; SMN2LMNAKDM4EL3MBTL1GAA
SCHEMBL151616 0.91 RXRA (0.42) SMN1; SMN2HSD17B10LMNARAB9AALDH1A1
SCHEMBL477990 0.88 LTB4R (0.46) LMNAALDH1A1L3MBTL1MAPK1KMT2A
SCHEMBL9710054 0.86 F10 (0.46) SMN1; SMN2RAB9AALDH1A1TSHRNPC1
SCHEMBL29087672 0.85 MAOB (0.39) SMN1; SMN2HSD17B10LMNARAB9ATSHR
SCHEMBL30646795 0.85 MAOB (0.39) SMN1; SMN2HSD17B10LMNARAB9ATSHR
SCHEMBL491756 0.85 HSP90AB1 (0.49) SMN1; SMN2LMNAALDH1A1KDM4ETSHR
SCHEMBL491528 0.84 RXRA (0.47) KDM4EMAPTKMT2APOLBPPARG
SCHEMBL5052624 0.83 HSP90AB1 (0.42) SMN1; SMN2LMNARAB9AALDH1A1NPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252935-B2 Piperidinyl and piperazinyl modulators of γ-secretase JANSSEN PHARMACEUTICA N.V. (BE) 2012-08-28 US disclosed
EP-2212287-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE Janssen Pharmaceutica, N.V. (BE) 2010-08-04 EP disclosed
WO-2009052126-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF γ-SECRETASE JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-23 WO disclosed
US-20090105275-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-23 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-20090105275-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE BACE1, BACE2, PSEN1 SMN1; SMN2 3270/4885HSD17B10 3255/4885LMNA 2543/4885

“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.