SCHEMBL22276701

SCHEMBL22276701

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.46
PTGS2 P35354 8/20 0.42
RORC P51449 4/20 0.41
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
ALOX15 P16050 1/20 0.39
USP28 Q96RU2 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
NR3C1 P04150 1/20 0.37
PGR P06401 1/20 0.37
NR3C2 P08235 1/20 0.37
AR P10275 1/20 0.37
PTGS1 P23219 1/20 0.37

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
SCHEMBL20032421 0.90 RORC (0.41) SCDPTGS2RORC
SCHEMBL20032444 0.82 RORC (0.41) SCDPTGS2RORC
SCHEMBL18713771 0.78 RORC (0.43) SCDPTGS2RORC
SCHEMBL18713989 0.77 CHRM1 (0.46) ADORA2AADORA1RAB9AKMT2A
SCHEMBL20032365 0.77 CTSS (0.42)
SCHEMBL20032430 0.75 LOXL2 (0.36) RORC
SCHEMBL21164536 0.74 DHFR (0.39) KMT2A
SCHEMBL20032468 0.74 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL18713670 0.73 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL6721532 0.73 PTGS2 (0.73) PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES GMBH (CH) 2021-03-16 US disclosed
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ROIVANT SCIENCES GMBH (CH) 2020-07-30 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 (2 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-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A SCD 1453/4885PTGS2 645/4885RORC 300/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A SCD 1453/4885PTGS2 645/4885RORC 300/4885

“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.