SCHEMBL7047846

SCHEMBL7047846

O=C(N[C@@H](CS(=O)(=O)Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(O)c1nc2ccccc2o1)c1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
CTSL P07711 4/20 0.40
CTSB P07858 3/20 0.39
BACE1 P56817 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
GPR132 Q9UNW8 2/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2C9 P11712 1/20 0.37
ECE1 P42892 1/20 0.37
CTSS P25774 2/20 0.37

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
SCHEMBL7046388 0.89 LONP1 (0.47) CTSLCTSBBACE1CTSS
SCHEMBL7047997 0.88 LONP1 (0.45) CTSLCTSBBACE1GPR132CTSS
SCHEMBL6466567 0.85 CTSS (0.47) LMNACTSLCTSBSMN1; SMN2KDM4E
SCHEMBL7046505 0.83 CTSL (0.42) CTSLCTSBBACE1CTSSGART
SCHEMBL6468744 0.81 ALDH1A1 (0.39) CTSBALDH1A1CTSSGART
Hydrochloric Acid SCHEMBL6465933 0.81 ALDH1A1 (0.38) CTSBALDH1A1CTSSGART
SCHEMBL6462892 0.80 CTSS (0.47) CTSLCTSBCTSS
SCHEMBL7591825 0.80 CTSS (0.47) CTSLCTSBCTSS
SCHEMBL7042880 0.80 CTSS (0.47) CTSLCTSBCTSS
SCHEMBL7046904 0.80 CTSS (0.45) LMNACTSLCTSBCYP3A4ALDH1A1

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-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US disclosed
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 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-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ LMNA 1755/4885CTSL 18/4885CTSB 11/4885

“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.