SCHEMBL18713670

SCHEMBL18713670

CCC(CC)c1ccc(S(C)(=O)=O)cc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.51
PTGDR2 Q9Y5Y4 1/20 0.50
METAP2 P50579 1/20 0.45
NPBWR1 P48145 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
PTGS1 P23219 2/20 0.41

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
SCHEMBL21366652 0.92 PTGS2 (0.46) PTGS2PTGDR2METAP2NPBWR1LOXL2
SCHEMBL20032468 0.79 PTGS2 (0.53) PTGS2PTGDR2PTGS1
SCHEMBL20032444 0.79 RORC (0.41) PTGS2LOXL2
SCHEMBL20032129 0.78 CTSS (0.43) PTGS2METAP2LOXL2
SCHEMBL20032336 0.76 PTGS2 (0.44) PTGS2LOXL2
SCHEMBL16568314 0.75 PTGS2 (0.47) PTGS2PTGDR2METAP2PTGS1
SCHEMBL16555247 0.75 PTGS2 (0.47) PTGS2PTGDR2METAP2PTGS1
SCHEMBL21164385 0.75 LOXL2 (0.36) LOXL2
Hydrogen Sulfide SCHEMBL27744403 0.75 PTGS2 (0.69) PTGS2PTGDR2METAP2PTGS1
SCHEMBL18713538 0.74 PTGDR2 (0.42) PTGS2PTGDR2

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-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ALTAVANT SCIENCES GMBH 2023-09-19 US disclosed
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2018-04-05 US disclosed
US-9750740-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors Kanos Pharmaceuticals, Inc. (US) 2017-09-05 US disclosed
US-20170095476-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2017-04-06 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 (3 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-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A PTGS2 645/4885PTGDR2 872/4885METAP2 1452/4885
US-20170095476-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A PTGS2 645/4885PTGDR2 872/4885METAP2 1452/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A PTGS2 645/4885PTGDR2 872/4885METAP2 1452/4885

“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.