SCHEMBL7042876

SCHEMBL7042876

O=C(NCC(C(=O)NCCC(C(=O)c1nc2ccccc2o1)c1ccccc1)C1CCCCC1)C1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.43
CTSL P07711 2/20 0.43
CTSB P07858 2/20 0.43
CTSK P43235 2/20 0.43
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 2/20 0.38
TSHR P16473 1/20 0.37
FAAH O00519 1/20 0.36
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
Hydrochloric Acid SCHEMBL7114471 0.99 CTSS (0.43) CTSSCTSLCTSBCTSKLMNA
SCHEMBL7047092 0.91 LMNA (0.41) CTSSLMNASMN1; SMN2HTTMAPT
SCHEMBL6466351 0.86 FAAH (0.38) CTSSLMNASMN1; SMN2HTTTSHR
SCHEMBL6061659 0.85 LMNA (0.43) CTSSLMNASMN1; SMN2HTTMAPT
SCHEMBL7044252 0.84 HTT (0.43) CTSSLMNASMN1; SMN2HTTMAPT
SCHEMBL7049338 0.83 CTSS (0.38) CTSSCTSLCTSBCTSKLMNA
SCHEMBL7047591 0.82 CTSS (0.38) CTSSSMN1; SMN2FAAH
SCHEMBL6063094 0.82 CTSS (0.47) CTSSLMNASMN1; SMN2HTTTSHR
SCHEMBL7183138 0.82 LMNA (0.45) CTSSCTSLCTSBCTSKLMNA
SCHEMBL7044345 0.80 CTSS (0.39) CTSSCTSLCTSBCTSKLMNA

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 CTSS 9/4885CTSL 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.