SCHEMBL3623915

SCHEMBL3623915

CC(=NS(=O)(=O)c1ccccc1)NN(CCCC(=O)c1nc(-c2ccccc2)no1)C(=O)CCS(=O)(=O)Cc1ccccc1OC(F)F

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
TSHR P16473 5/20 0.33
MAPT P10636 4/20 0.32
MAPK1 P28482 2/20 0.32
HTT P42858 2/20 0.32
CES1 P23141 1/20 0.31
NCEH1 Q6PIU2 1/20 0.31
KMT2A Q03164 2/20 0.31
HPGD P15428 1/20 0.31
MEN1 O00255 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL3625370 0.87
SCHEMBL3613201 0.86 FAAH (0.36) CES1
SCHEMBL3622455 0.75 FAAH (0.35) ALDH1A1CES1KMT2AMEN1
SCHEMBL6630648 0.64 KMT2A (0.65) ALDH1A1HTTKMT2AHPGDMEN1
SCHEMBL3618556 0.64 CTSS (0.45)
SCHEMBL3618554 0.64 CTSS (0.45)
SCHEMBL3613204 0.64 FAAH (0.35) CES1
SCHEMBL3613199 0.62 CTSS (0.44)
SCHEMBL6063780 0.62 FAAH (0.41) ALDH1A1CES1KMT2AGAA
SCHEMBL3620433 0.62 FAAH (0.40) CES1

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-7662849-B2 Amidino compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2010-02-16 US disclosed
US-20060264464-A1 Amidino compounds as cysteine protease inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2006-11-23 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-20060264464-A1 Amidino compounds as cysteine protease inhibitors CTSF, CTSB, CTSS ALDH1A1 4189/4885TSHR 4193/4885MAPT 3190/4885

“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.