SCHEMBL22639972

SCHEMBL22639972

Cc1ccc(S(=O)(=O)NCC2CCN(C)CC2)cc1C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 1/20 0.63
HTR2C P28335 2/20 0.53
HTR2A P28223 1/20 0.53
ALDH1A1 P00352 3/20 0.53
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
NSD2 O96028 1/20 0.49
HTR2B P41595 1/20 0.49
PKM P14618 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
PARG Q86W56 1/20 0.48
BCHE P06276 1/20 0.47
MAOB P27338 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
GBA1 P04062 1/20 0.47

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
SCHEMBL27900201 0.85 CCR8 (0.53) CCR8ALDH1A1MAPK1SMN1; SMN2PKM
SCHEMBL28528621 0.82 HTR2C (0.60) CCR8HTR2CALDH1A1MAPK1SMN1; SMN2
SCHEMBL16371501 0.79 NSD2 (0.59) CCR8ALDH1A1SMN1; SMN2NSD2PKM
SCHEMBL24997782 0.78 CCR8 (1.00) CCR8
SCHEMBL16372049 0.78 MEN1 (0.59) CCR8ALDH1A1SMN1; SMN2NSD2PKM
SCHEMBL22640128 0.77 NSD2 (0.54) CCR8ALDH1A1NSD2MEN1KMT2A
SCHEMBL14419602 0.76 PARG (0.55) CCR8HTR2CALDH1A1SMN1; SMN2HTR2B
SCHEMBL14834130 0.76 MGLL (0.74) CCR8ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL14819973 0.73 ALDH1A1 (0.68) CCR8ALDH1A1SMN1; SMN2NSD2PKM
SCHEMBL31586351 0.71 HTR2C (0.56) CCR8HTR2CALDH1A1SMN1; SMN2HTR2B

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-10828281-B2 Non-hydrophobic compounds for use in treating metastasis and/or cartilage defect Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2020-11-10 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-10828281-B2 Non-hydrophobic compounds for use in treating metastasis and/or cartilage defect VIM, MATR3, TP53 CCR8 685/4885HTR2C 3481/4885HTR2A 3340/4885

“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.