SCHEMBL20032423

SCHEMBL20032423

CCC(CC)c1cccc(S(N)(=O)=O)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 15/20 0.55
CA1 P00915 9/20 0.55
CA12 O43570 8/20 0.48
CA9 Q16790 7/20 0.48
CA14 Q9ULX7 3/20 0.48
CA4 P22748 2/20 0.48
CCR5 P51681 1/20 0.44
NOS1 P29475 1/20 0.44
CA5A P35218 2/20 0.42
CA3 P07451 1/20 0.42
CA6 P23280 1/20 0.42
CA7 P43166 1/20 0.42
PLA2G7 Q13093 1/20 0.42
CA13 Q8N1Q1 1/20 0.42
CA5B Q9Y2D0 1/20 0.42

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
SCHEMBL21164504 0.90 CA2 (0.50) CA2CA1CA12CA9CA14
SCHEMBL27979185 0.86 CA2 (0.52) CA2CA1CA12CA9CA14
SCHEMBL18509335 0.86 HDAC4 (0.56) CA2CA1CA12CA9CA14
SCHEMBL5262049 0.84 CA2 (0.53) CA2CA1CA12CA9CA14
SCHEMBL20032397 0.84 CCR5 (0.45) CCR5
SCHEMBL18713459 0.84 PSIP1 (0.50) CCR5
Hydrochloric Acid SCHEMBL1185296 0.83 CA2 (0.52) CA2CA1CA12CA9CA14
SCHEMBL7146350 0.83 CA2 (0.52) CA2CA1CA12CA9CA14
SCHEMBL84614 0.79 CA2 (0.61) CA2CA1CA12CA9CA14
SCHEMBL18713574 0.79 CCR5 (0.42) CCR5

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
CN-109232330-A Method for synthesizing benzene sulfonamide compound from benzene sulfonyl chloride compound and triethylamine through metal-free catalysis 中国人民解放军国防科技大学 2019-01-18 CN 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 CA2 3523/4885CA1 3748/4885CA12 4732/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A CA2 3523/4885CA1 3748/4885CA12 4732/4885
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A CA2 3523/4885CA1 3748/4885CA12 4732/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A CA2 3523/4885CA1 3748/4885CA12 4732/4885
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A CA2 3523/4885CA1 3748/4885CA12 4732/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A CA2 3523/4885CA1 3748/4885CA12 4732/4885

“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.