SCHEMBL14865877

SCHEMBL14865877

CCC(=O)[C@H](Cc1ccccc1)NC(C)=O

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.60
CTSK P43235 1/20 0.60
PAM P19021 1/20 0.60
CTRB1 P17538 4/20 0.55
TACR1 P25103 1/20 0.55
GNPAT O15228 1/20 0.52
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ACE P12821 1/20 0.51
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP3 P08254 1/20 0.50
MMP7 P09237 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL20079849 1.00 CTSS (0.60) CTSSCTSKPAMCTRB1TACR1
SCHEMBL8534420 0.87 PSMB5 (0.58) CTSSACEMMP1MMP2MMP3
SCHEMBL8533429 0.87 PSMB5 (0.58) CTSSACEMMP1MMP2MMP3
SCHEMBL25827981 0.85 GRIA1 (0.51) CTSSCTSKPAMTACR1ACE
SCHEMBL21399308 0.85 POLB (0.54) SMN1; SMN2ACEMMP1MMP2MMP3
SCHEMBL14865867 0.85 CTSG (0.62) CTSSCTSKPAMCTRB1TACR1
SCHEMBL14363442 0.85 CTSG (0.62) CTSSCTSKPAMCTRB1TACR1
SCHEMBL18506593 0.84 CTSC (0.56) ACEMMP1MMP2MMP3MMP7
SCHEMBL11168240 0.84 CTSS (0.55) CTSSCTSKPAMCTRB1TACR1
Afalanine SCHEMBL158612 0.84 CTSS (0.65) CTSSCTSKPAMCTRB1TACR1

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-20130096317-A1 REDUCTION OF ALDEHYDES AND KETONES TO ALCOHOLS GEORGIA TECH RESEARCH CORPORATION (US) 2013-04-18 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-20130096317-A1 REDUCTION OF ALDEHYDES AND KETONES TO ALCOHOLS POF1B, PHF2, ADH1C CTSS 4614/4885CTSK 4698/4885PAM 1218/4885

“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.