SCHEMBL7143572

SCHEMBL7143572

CCOC(=O)CC(CCCCN)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.58
F10 P00742 4/20 0.52
ALDH1A1 P00352 2/20 0.48
PRSS1 P07477 1/20 0.46
TSHR P16473 1/20 0.44
GABBR2 O75899 1/20 0.43
GABBR1 Q9UBS5 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CPB2 Q96IY4 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40

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 SCHEMBL7304105 0.99 F2 (0.57) F2F10ALDH1A1PRSS1TSHR
SCHEMBL7136892 0.96 F2 (0.59) F2F10ALDH1A1PRSS1TSHR
SCHEMBL7138873 0.96 F2 (0.59) F2F10ALDH1A1PRSS1TSHR
SCHEMBL7138871 0.96 F2 (0.59) F2F10ALDH1A1PRSS1TSHR
Hydrochloric Acid SCHEMBL7136803 0.94 F2 (0.58) F2F10ALDH1A1PRSS1TSHR
Hydrochloric Acid SCHEMBL7136799 0.94 F2 (0.58) F2F10ALDH1A1PRSS1TSHR
Hydrochloric Acid SCHEMBL7857104 0.94 F2 (0.58) F2F10ALDH1A1PRSS1TSHR
SCHEMBL4405175 0.87 F2 (0.56) F2F10ALDH1A1PRSS1TSHR
SCHEMBL15216692 0.87 F2 (0.56) F2F10ALDH1A1PRSS1TSHR
SCHEMBL4410601 0.87 F2 (0.56) F2F10ALDH1A1PRSS1TSHR

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 F2 2126/4885F10 2577/4885ALDH1A1 1400/4885

“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.