SCHEMBL20032365

SCHEMBL20032365

CCCc1ccc(-c2cccc(S(C)(=O)=O)c2)c(C(CC)CC)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.38
NR1H2 P55055 4/20 0.37
NR1H3 Q13133 2/20 0.37
PARP1 P09874 1/20 0.36
PIP4K2C Q8TBX8 1/20 0.36
JAK2 O60674 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
ALOX5 P09917 1/20 0.35
METAP2 P50579 1/20 0.34
KCNH2 Q12809 1/20 0.34
LRRK2 Q5S007 1/20 0.34
PTGDR Q13258 1/20 0.34
PTGER3 P43115 1/20 0.34
CA2 P00918 1/20 0.34
DRD2 P14416 1/20 0.34
KAT6A Q92794 1/20 0.34

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
SCHEMBL23095478 0.94 CTSS (0.40) CTSSCTSKLOXL2NR1H2NR1H3
SCHEMBL20032129 0.91 CTSS (0.43) CTSSCTSKLOXL2NR1H2NR1H3
SCHEMBL18713948 0.89 CTSS (0.41) CTSSCTSKLOXL2NR1H2NR1H3
SCHEMBL20032421 0.82 RORC (0.41) CTSSCTSKLOXL2NR1H2JAK2
SCHEMBL16573991 0.82 LRRK2 (0.46) CTSSCTSKLOXL2NR1H2NR1H3
SCHEMBL18713941 0.80 BRD4 (0.51) CTSSCTSKLOXL2NR1H2NR1H3
SCHEMBL16573983 0.80 CTSS (0.46) CTSSCTSKLOXL2NR1H2NR1H3
SCHEMBL20032430 0.78 LOXL2 (0.36) CTSSCTSKLOXL2NR1H2NR1H3
SCHEMBL22276701 0.77 SCD (0.46)
SCHEMBL10180595 0.74 KAT6A (0.48) CTSSCTSKCNR1CNR2METAP2

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-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2021-07-08 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 (4 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 CTSS 942/4885CTSK 2558/4885LOXL2 1549/4885
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A CTSS 942/4885CTSK 2558/4885LOXL2 1549/4885
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A CTSS 942/4885CTSK 2558/4885LOXL2 1549/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A CTSS 942/4885CTSK 2558/4885LOXL2 1549/4885

“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.