SCHEMBL7143650

SCHEMBL7143650

O=C(O)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.57
CYP3A4 P08684 3/20 0.57
CYP2C9 P11712 3/20 0.57
CYP2C19 P33261 3/20 0.57
ALDH1A1 P00352 3/20 0.57
CYP2D6 P10635 3/20 0.56
TSHR P16473 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CASP1 P29466 9/20 0.56
MAPT P10636 1/20 0.53
CASP3 P42574 1/20 0.52
CASP7 P55210 1/20 0.52
CTSL P07711 3/20 0.50
CTSB P07858 3/20 0.50
CTSS P25774 3/20 0.50
CTSK P43235 1/20 0.50
POLB P06746 1/20 0.49

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
SCHEMBL7138929 0.92 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL7140209 0.86 CASP1 (0.60) CASP1MAPTCTSLCTSBCTSS
SCHEMBL27791622 0.84 POLB (0.62) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL13512287 0.83 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL13510034 0.83 CTSL (0.53) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL7143516 0.82 CYP3A4 (0.54) CYP3A4TSHRSMN1; SMN2CASP1CTSL
SCHEMBL28707521 0.81 CASP1 (0.60) CASP1CTSLCTSBCTSSCTSK
SCHEMBL28707519 0.81 CASP1 (0.60) CASP1CTSLCTSBCTSSCTSK
SCHEMBL8107123 0.80 HDAC6 (0.69)
SCHEMBL7138805 0.79 SMN1; SMN2 (0.54) CYP1A2ALDH1A1CYP2D6TSHRSMN1; SMN2

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 CYP1A2 4389/4885CYP3A4 3460/4885CYP2C9 4114/4885

“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.