SCHEMBL20032421

SCHEMBL20032421

CCC(CC)c1cc(Cl)ccc1-c1cccc(S(C)(=O)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.41
PTGS2 P35354 4/20 0.39
CNR1 P21554 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
SCD O00767 1/20 0.38
PTGES2 Q9H7Z7 1/20 0.37
JAK2 O60674 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CA13 Q8N1Q1 1/20 0.37
HSD11B1 P28845 1/20 0.37
EPHB4 P54760 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
NR1H2 P55055 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
SCHEMBL20032444 0.90 RORC (0.41) RORCPTGS2CNR1LOXL2SCD
SCHEMBL22276701 0.90 SCD (0.46) RORCPTGS2SCD
SCHEMBL18713771 0.88 RORC (0.43) RORCPTGS2CNR1LOXL2SCD
SCHEMBL20032365 0.82 CTSS (0.42) CNR1LOXL2JAK2CA2CTSS
SCHEMBL20032430 0.80 LOXL2 (0.36) RORCLOXL2JAK2CTSSCTSK
SCHEMBL21164534 0.79 BRD4 (0.44) RORCPTGES2HSD11B1NR1H2
SCHEMBL20032452 0.78 HSD11B1 (0.39) HSD11B1
SCHEMBL18713724 0.78 CA1 (0.46) PTGS2PTGES2CA1CA2CA9
SCHEMBL16574002 0.77 LRRK2 (0.50) RORCPTGS2CNR1PTGES2JAK2
SCHEMBL18713666 0.77 RORC (0.44) RORCPTGS2CNR1LOXL2PTGES2

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 6 patents. 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
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 (6 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 RORC 300/4885PTGS2 645/4885CNR1 373/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A RORC 300/4885PTGS2 645/4885CNR1 373/4885
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A RORC 300/4885PTGS2 645/4885CNR1 373/4885
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A RORC 300/4885PTGS2 645/4885CNR1 373/4885
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A RORC 300/4885PTGS2 645/4885CNR1 373/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A RORC 300/4885PTGS2 645/4885CNR1 373/4885

“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.