SCHEMBL7143553

SCHEMBL7143553

CNC(=O)Nc1nc(C)c(C(=O)O)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.59
PKM P14618 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 5/20 0.49
HPGD P15428 2/20 0.49
TSHR P16473 2/20 0.49
NPC1 O15118 3/20 0.48
RXFP1 Q9HBX9 2/20 0.47
GAA P10253 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
RAB9A P51151 3/20 0.45
KDM4E B2RXH2 1/20 0.45
PDE5A O76074 1/20 0.43
PDE1A P54750 1/20 0.43
PDE1B Q01064 1/20 0.43
PDE1C Q14123 1/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43

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
SCHEMBL3585209 0.82 ALDH1A1 (0.64) LCKPKMTDP1ALDH1A1HPGD
SCHEMBL8554963 0.82 ALDH1A1 (0.55) PKMTDP1ALDH1A1HPGDTSHR
SCHEMBL20378248 0.80 LCK (0.67) LCKPKMTDP1ALDH1A1HPGD
SCHEMBL7147053 0.80 ALDH1A1 (0.74) ALDH1A1HPGDTSHRNPC1RXFP1
SCHEMBL8553256 0.79 LCK (0.59) LCKPKMTDP1ALDH1A1HPGD
SCHEMBL25410224 0.78 RXFP1 (0.77) PKMTDP1ALDH1A1HPGDTSHR
SCHEMBL3577082 0.78 ALDH1A1 (0.62) PKMTDP1ALDH1A1HPGDTSHR
Hydrochloric Acid SCHEMBL8557703 0.78 LCK (0.58) LCKPKMTDP1ALDH1A1HPGD
SCHEMBL5735532 0.78 PKM (0.51) PKMTDP1ALDH1A1HPGDTSHR
SCHEMBL1539969 0.77 LCK (0.65) LCKPKMTDP1ALDH1A1HPGD

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 9 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
EP-0928793-B1 Thiazole derivatives HOFFMANN LA ROCHE (CH) 2002-05-15 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
US-6001855-A REACTING A THIAZOLE DERIVATIVE AND A CYCLIC AMINE DERIVATIVE; INHIBITS BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES OF CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS HOFFMAN-LA ROCHE INC. (US) 1999-12-14 US disclosed
EP-0928793-A1 Thiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-07-14 EP 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 LCK 1715/4885PKM 573/4885TDP1 2800/4885

“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.