SCHEMBL3524352

SCHEMBL3524352

Cc1cc(F)ccc1F.O=S(=O)(Cl)Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.42
PSEN1 P49768 5/20 0.41
PSEN2 P49810 5/20 0.41
APH1B Q8WW43 5/20 0.41
NCSTN Q92542 5/20 0.41
APH1A Q96BI3 5/20 0.41
PSENEN Q9NZ42 5/20 0.41
TSHR P16473 3/20 0.41
PTGS1 P23219 1/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
MAPK1 P28482 1/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 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
SCHEMBL168684 0.86
SCHEMBL29370717 0.86
Bromide SCHEMBL28030910 0.84 CA3 (0.46) PTGS2TSHRPTGS1KMT2ACES2
SCHEMBL8819778 0.83 KMT2A (0.41) PTGS2PSEN1PSEN2APH1BNCSTN
SCHEMBL27703973 0.79 PSEN1 (0.43) PTGS2PSEN1PSEN2APH1BNCSTN
SCHEMBL27522608 0.78 NISCH (0.43) PTGS2KMT2AFFAR4
SCHEMBL30161644 0.77 TSHR (0.51) PTGS2TSHRPTGS1KMT2ASMN1; SMN2
SCHEMBL29764212 0.77 TSHR (0.47) TSHRKMT2AMAPK1RXFP1
SCHEMBL181280 0.77 TSHR (0.47) TSHRKMT2AMAPK1RXFP1
SCHEMBL733946 0.77 TSHR (0.51) PTGS2TSHRPTGS1KMT2ASMN1; SMN2

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-7655675-B2 Gamma-secretase inhibitors MERCK SHARP & DOHME LIMITED (GB) 2010-02-02 US disclosed
US-20050075320-A1 Gamma-secretase inhibitors MERCK SHARP & DOHME LTD. (GB) 2005-04-07 US disclosed
WO-1997046207-A2 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1997-12-11 WO disclosed
EP-0804464-A1 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1997-11-05 EP disclosed
WO-1996018644-A1 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1996-06-20 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 (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-20050075320-A1 Gamma-secretase inhibitors BACE1, BACE2, APP PTGS2 1158/4885PSEN1 4/4885PSEN2 5/4885

“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.