SCHEMBL7143516

SCHEMBL7143516

O=C(O)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1cccnc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.54
TSHR P16473 3/20 0.54
EPHX1 P07099 1/20 0.53
CASP1 P29466 4/20 0.53
NAMPT P43490 1/20 0.53
HDAC1 Q13547 2/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PKM P14618 1/20 0.50
KMT2A Q03164 1/20 0.50
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
CTSS P25774 1/20 0.50
CTSK P43235 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
SCHEMBL7140209 0.88 CASP1 (0.60) CASP1HTTCTSLCTSBCTSS
SCHEMBL7742679 0.84 NAMPT (0.68) CYP3A4EPHX1NAMPTHDAC1LMNA
SCHEMBL7143650 0.82 CYP1A2 (0.57) CYP3A4TSHRCASP1SMN1; SMN2CTSL
SCHEMBL28707521 0.81 CASP1 (0.60) CASP1CTSLCTSBCTSSCTSK
SCHEMBL28707519 0.81 CASP1 (0.60) CASP1CTSLCTSBCTSSCTSK
SCHEMBL5790114 0.79 HDAC1 (0.74) CYP3A4EPHX1NAMPTHDAC1
SCHEMBL14485766 0.79 CTSS (0.54) CYP3A4NAMPTHDAC1CTSLCTSB
SCHEMBL4280674 0.79 CASP1 (0.67) CASP1
SCHEMBL4280669 0.79 CASP1 (0.67) CASP1
SCHEMBL22034521 0.79 CTSS (0.58) HTTCTSLCTSBCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0928790-B1 Thiazole derivatives HOFFMANN LA ROCHE (CH) 2003-03-05 EP disclosed
US-6344562-B1 ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2002-02-05 US disclosed
US-20020010316-A1 Thiazole derivatives ALIG LEO (CH) 2002-01-24 US disclosed
US-6320054-B1 INHIBIT BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES F CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS. HOFFMAN-LA ROCHE INC. 2001-11-20 US disclosed
US-6100282-A Thiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2000-08-08 US disclosed
EP-0928790-A1 Thiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-07-14 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 (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-20020010316-A1 Thiazole derivatives VCAM1, SOST, TGFB1 CYP3A4 3460/4885TSHR 166/4885EPHX1 1902/4885

“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.