SCHEMBL6807927

SCHEMBL6807927

CCCc1ccc(CC(=O)N[C@@H](Cc2ccc(N)cc2)C(=O)NCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.58
CTSB P07858 1/20 0.58
CTSS P25774 1/20 0.58
CHRNA1 P02708 3/20 0.52
CHRNG P07510 3/20 0.52
CHRNB1 P11230 3/20 0.52
CHRND Q07001 3/20 0.52
KLKB1 P03952 5/20 0.51
KLK1 P06870 2/20 0.51
FCER2 P06734 5/20 0.51
MMP1 P03956 4/20 0.51
NPY1R P25929 1/20 0.50
GRIA1 P42261 1/20 0.49
CNR2 P34972 1/20 0.48
MMP8 P22894 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
SCHEMBL6807932 1.00 CTSL (0.58) CTSLCTSBCTSSCHRNA1CHRNG
SCHEMBL6803131 0.85 MEN1 (0.60) CTSLCTSBCTSSCHRNA1CHRNG
SCHEMBL6803124 0.85 MEN1 (0.60) CTSLCTSBCTSSCHRNA1CHRNG
SCHEMBL6801392 0.85 CTSL (0.53) CTSLCTSBCTSSCHRNA1CHRNG
SCHEMBL6801389 0.85 CTSL (0.53) CTSLCTSBCTSSCHRNA1CHRNG
SCHEMBL7134683 0.78 CTSS (0.52) CTSLCTSBCTSS
SCHEMBL14486100 0.77 KLKB1 (0.83) KLKB1KLK1
SCHEMBL3838856 0.77 ALDH1A1 (0.69)
SCHEMBL21137542 0.76 CTSS (0.68) CTSLCTSBCTSS
SCHEMBL21560530 0.75 CHRNA1 (0.73) CTSLCTSBCTSSCHRNA1CHRNG

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
WO-2004074238-A1 PHENETHYLAMINO SULFAMIC ACIDS THE PROCTER & GAMBLE COMPANY (US) 2004-09-02 WO disclosed
US-20040167183-A1 Phenethylamino sulfamic acids THE PROCTER & GAMBLE COMPANY 2004-08-26 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-20040167183-A1 Phenethylamino sulfamic acids PTPRM, PTPRS, PTPRE CTSL 2677/4885CTSB 2219/4885CTSS 1861/4885

“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.