SCHEMBL5529205

SCHEMBL5529205

Cc1cccc(Cl)c1NC(=O)Nc1cccc(C(=O)NCC(C(=O)NCC#N)C2CCCCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PYGL P06737 11/20 0.55
CYP2C9 P11712 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
CTSL P07711 4/20 0.41
CTSS P25774 3/20 0.41
CTSV O60911 2/20 0.41
CTSK P43235 2/20 0.41
LCK P06239 1/20 0.39
CTSB P07858 1/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL6874233 0.86 CTSL (0.46) SMN1; SMN2LMNACTSLCTSSCTSK
SCHEMBL5528437 0.84 CTSL (0.48) SMN1; SMN2LMNACTSLCTSSCTSV
SCHEMBL6590412 0.84 SMYD3 (0.46) SMN1; SMN2LMNACTSLCTSSCTSK
SCHEMBL5529202 0.83 CTSL (0.61) PYGLCYP2C9CTSLCTSSCTSV
SCHEMBL5522783 0.81 CTSL (0.53) CTSLCTSSCTSVCTSKCTSB
SCHEMBL7562354 0.80 CTSL (0.48) SMN1; SMN2CTSLCTSSCTSVCTSK
SCHEMBL5526266 0.80 CTSL (0.53) LMNACTSLCTSSCTSVCTSK
SCHEMBL5528527 0.80 CTSL (0.48) LMNACTSLCTSSCTSVCTSK
SCHEMBL5525358 0.79 PRMT5 (0.51) SMN1; SMN2CTSLCTSSCTSKCTSB
SCHEMBL5534377 0.79 CTSL (0.49) SMN1; SMN2CTSLCTSSCTSVCTSK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2007-01-18 US disclosed
US-20040147745-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2004-07-29 US disclosed
EP-1178958-B1 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2004-02-18 EP 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 (2 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-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 PYGL 1525/4885CYP2C9 1293/4885SMN1; SMN2 3462/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 PYGL 1525/4885CYP2C9 1293/4885SMN1; SMN2 3462/4885

“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.