SCHEMBL21164370

SCHEMBL21164370

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNNI3K Q59H18 7/20 0.41
EGFR P00533 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KMT2A Q03164 1/20 0.40
LMNA P02545 2/20 0.39
PTBP1 P26599 1/20 0.39
CCR5 P51681 1/20 0.38
TAS2R14 Q9NYV8 1/20 0.38
NR1I2 O75469 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
CA2 P00918 2/20 0.36
CA1 P00915 1/20 0.36
FBP1 P09467 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
SCHEMBL20032309 0.91 TNNI3K (0.45) TNNI3KEGFRSMN1; SMN2L3MBTL1KMT2A
SCHEMBL20372757 0.83 CCR5 (0.41) SMN1; SMN2CCR5NR1I2CA2CA1
SCHEMBL21164434 0.83 PSIP1 (0.44) SMN1; SMN2CCR5NR1I2CA2CA1
SCHEMBL18713706 0.83 HDAC4 (0.50) TNNI3KEGFRSMN1; SMN2L3MBTL1KMT2A
SCHEMBL21164504 0.82 CA2 (0.50) CCR5CA2CA1
SCHEMBL21164503 0.81 CCR5 (0.39) SMN1; SMN2KMT2ACCR5NR1I2CA2
SCHEMBL17367964 0.76 DRD2 (0.42) SMN1; SMN2CCR5CA2CA1
SCHEMBL12278151 0.76 TNNI3K (0.62) TNNI3KEGFRSMN1; SMN2L3MBTL1LMNA
SCHEMBL27979185 0.75 CA2 (0.52) CA2CA1
SCHEMBL22084580 0.73 TNNI3K (0.49) TNNI3KEGFRSMN1; SMN2L3MBTL1LMNA

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-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

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-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A TNNI3K 933/4885EGFR 3433/4885SMN1; SMN2 3998/4885
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A TNNI3K 933/4885EGFR 3433/4885SMN1; SMN2 3998/4885

“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.