SCHEMBL21164504

SCHEMBL21164504

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

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 15/20 0.50
CA1 P00915 11/20 0.50
CA12 O43570 4/20 0.43
CA9 Q16790 4/20 0.43
CA14 Q9ULX7 2/20 0.43
CA4 P22748 1/20 0.43
CCR5 P51681 1/20 0.40
CA7 P43166 1/20 0.40
NOS1 P29475 1/20 0.40

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
SCHEMBL27979185 0.94 CA2 (0.52) CA2CA1CA12CA9CA14
SCHEMBL20032423 0.90 CA2 (0.55) CA2CA1CA12CA9CA14
SCHEMBL21164434 0.86 PSIP1 (0.44) CA2CA1CCR5
SCHEMBL20372757 0.86 CCR5 (0.41) CA2CA1CCR5
SCHEMBL21164503 0.83 CCR5 (0.39) CA2CA1CCR5
SCHEMBL21164370 0.82 TNNI3K (0.41) CA2CA1CCR5
SCHEMBL20372807 0.80 NR1I2 (0.54) CA2CA1CA12CA9CA14
SCHEMBL18509335 0.80 HDAC4 (0.56) CA2CA1CA12CA9CA14
SCHEMBL17367964 0.79 DRD2 (0.42) CA2CA1CCR5
SCHEMBL5262049 0.79 CA2 (0.53) CA2CA1CA12CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES GMBH (CH) 2019-07-16 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 (1 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-10350208-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.