SCHEMBL17535652

SCHEMBL17535652

Cc1ccc(S(=O)(=O)OC[C@H]2CC2(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 2/20 0.40
STAT3 P40763 1/20 0.39
CYP2D6 P10635 2/20 0.38
CYP1A2 P05177 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 1/20 0.37
VDR P11473 1/20 0.36
LMNA P02545 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
XBP1 P17861 1/20 0.36
MAPK1 P28482 1/20 0.36
MPI P34949 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 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
SCHEMBL17535604 1.00 ALDH1A1 (0.40) ALDH1A1KMT2ASTAT3CYP2D6CYP1A2
SCHEMBL14972291 1.00 ALDH1A1 (0.40) ALDH1A1KMT2ASTAT3CYP2D6CYP1A2
SCHEMBL23989830 0.86 ALDH1A1 (0.38) ALDH1A1KMT2ASTAT3CYP2D6CYP1A2
SCHEMBL20014121 0.86 STAT3 (0.39) ALDH1A1KMT2ASTAT3CYP2D6CYP1A2
SCHEMBL30030113 0.86 ALDH1A1 (0.38) ALDH1A1KMT2ASTAT3CYP2D6CYP1A2
SCHEMBL30565480 0.86 STAT3 (0.39) ALDH1A1KMT2ASTAT3CYP2D6CYP1A2
SCHEMBL15348113 0.84 CA12 (0.39) ALDH1A1KMT2ASTAT3CYP2D6CYP1A2
SCHEMBL20014131 0.84 KMT2A (0.40) ALDH1A1KMT2ASTAT3CYP2D6CYP1A2
SCHEMBL2304680 0.83 STAT3 (0.38) ALDH1A1KMT2ASTAT3CYP2D6CYP1A2
SCHEMBL32680542 0.81 ESR1 (0.41) ALDH1A1KMT2ASTAT3CYP2D6CYP1A2

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
WO-2023064223-A1 TRI-SUBSTITUTED PYRIDINES GOSSAMER BIO SERVICES, INC. (US) 2023-04-20 WO disclosed
EP-2970331-B1 SPIRO AZETIDINE ISOXAZOLE DERIVATIVES AND THEIR USE AS SSTR5 ANTAGONISTS TAKEDA PHARMACEUTICALS CO (JP) 2017-05-17 EP disclosed
US-9605000-B2 Spiro azetidine isoxazole derivatives and their use as SSTR antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-28 US disclosed
US-20160060273-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-03-03 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-20160060273-A1 HETEROCYCLIC COMPOUND SSTR5, SSTR1, SSTR2 ALDH1A1 2449/4885KMT2A 2455/4885STAT3 236/4885

“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.