SCHEMBL20032336

SCHEMBL20032336

CCC(CC)c1ccc(-c2ccc(C)c(C)c2)cc1-c1cccc(S(C)(=O)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.44
LRRK2 Q5S007 1/20 0.40
NR1H2 P55055 7/20 0.39
ALDH1A1 P00352 1/20 0.37
RIPK2 O43353 1/20 0.37
NOD2 Q9HC29 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
NR1H3 Q13133 3/20 0.36
GRIA2 P42262 1/20 0.36
GFER P55789 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
SCHEMBL16574063 0.83 PTGS2 (0.54) PTGS2LRRK2NR1H2CA12CA1
SCHEMBL20032444 0.81 RORC (0.41) PTGS2LOXL2CTSSCTSK
SCHEMBL20032129 0.80 CTSS (0.43) PTGS2NR1H2LOXL2CTSSCTSK
SCHEMBL18713566 0.79 BRD4 (0.49) PTGS2LRRK2NR1H2RIPK2NOD2
SCHEMBL20032448 0.79 CYP2C9 (0.45) NR1H2ALDH1A1RIPK2NOD2LOXL2
SCHEMBL21164385 0.77 LOXL2 (0.36) NR1H2ALDH1A1LOXL2CTSSCTSK
SCHEMBL18713670 0.76 PTGS2 (0.51) PTGS2LOXL2
SCHEMBL20032421 0.73 RORC (0.41) PTGS2NR1H2LOXL2CTSSCTSK
SCHEMBL18713796 0.72 KCNH2 (0.36) ALDH1A1
SCHEMBL20032365 0.72 CTSS (0.42) LRRK2NR1H2LOXL2CTSSCTSK

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 7 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-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2021-07-08 US disclosed
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES GMBH (CH) 2021-03-16 US disclosed
US-10660893-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES, GmbH (CH) 2020-05-26 US disclosed
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2019-09-19 US disclosed
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES GMBH (CH) 2019-07-16 US disclosed
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2018-04-05 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 (7 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-10660893-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A PTGS2 645/4885LRRK2 390/4885NR1H2 119/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A PTGS2 645/4885LRRK2 390/4885NR1H2 119/4885
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A PTGS2 645/4885LRRK2 390/4885NR1H2 119/4885
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A PTGS2 645/4885LRRK2 390/4885NR1H2 119/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A PTGS2 645/4885LRRK2 390/4885NR1H2 119/4885
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A PTGS2 645/4885LRRK2 390/4885NR1H2 119/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A PTGS2 645/4885LRRK2 390/4885NR1H2 119/4885

“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.