SCHEMBL23627360

SCHEMBL23627360

CCCC(CC)c1ccc(Cl)cc1-c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.48
PTGS1 P23219 6/20 0.43
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
ABCC4 O15439 1/20 0.40
ABCB11 O95342 1/20 0.40
PDE4D Q08499 1/20 0.40
MAPK14 Q16539 1/20 0.40
PSEN1 P49768 2/20 0.40
PSEN2 P49810 2/20 0.40
APH1B Q8WW43 2/20 0.40
NCSTN Q92542 2/20 0.40
APH1A Q96BI3 2/20 0.40
PSENEN Q9NZ42 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39

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
SCHEMBL20032468 0.92 PTGS2 (0.53) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL21366762 0.82 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21366652 0.82 PTGS2 (0.46) PTGS2PTGDR2
SCHEMBL21366928 0.81 KCNH2 (0.43) PTGS2PSEN1PSEN2APH1BNCSTN
SCHEMBL20032433 0.81 PTGDR2 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23095485 0.80 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL20032477 0.79 BRD4 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20032444 0.78 RORC (0.41) PTGS2
SCHEMBL20032503 0.77 GCG (0.39) PTGDR2
SCHEMBL21366949 0.76 ALDH1A1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2021-07-08 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-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A PTGS2 645/4885PTGS1 125/4885MMP2 2194/4885

“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.