SCHEMBL3221994

SCHEMBL3221994

Cc1ccc([S@@](=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
ACHE P22303 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 3/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
RECQL P46063 1/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2C19 P33261 1/20 0.38
PKM P14618 2/20 0.37
HTT P42858 2/20 0.37
ATM Q13315 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
GAA P10253 2/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL50106 1.00 ALDH1A1 (0.50) ALDH1A1CYP3A4CYP2C9ACHETDP1
SCHEMBL2798687 1.00 ALDH1A1 (0.50) ALDH1A1CYP3A4CYP2C9ACHETDP1
SCHEMBL11511364 0.97 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2C9ACHETDP1
SCHEMBL1022295 0.97 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2C9ACHETDP1
Ammonia Solution, Strong SCHEMBL3151956 0.97 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2C9ACHETDP1
SCHEMBL1024087 0.97 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2C9ACHETDP1
SCHEMBL10840131 0.97 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2C9ACHETDP1
Water SCHEMBL20269756 0.97 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2C9ACHETDP1
Water SCHEMBL4901432 0.97 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2C9ACHETDP1
Hydrochloric Acid SCHEMBL11389018 0.97 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2C9ACHETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3321331-A1 SOLDER MASK INKJET INKS FOR MANUFACTURING PRINTED CIRCUIT BOARDS AGFA-GEVAERT (BE) 2018-05-16 EP disclosed
EP-2321287-B1 4,5-DIHYDRO-OXAZOL-2-YL DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-11-11 EP disclosed
US-8729113-B2 4,5-dihydro-oxazol-2yl derivatives HOFFMANN-LA ROCHE INC. (US) 2014-05-20 US disclosed
US-8357712-B2 2013-01-22 US disclosed
US-8242153-B2 4,5-dihydro-oxazol-2YL derivatives HOFFMANN-LA ROCHE INC. (US) 2012-08-14 US disclosed
EP-2471786-A1 AMINOPYRAZOLE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-07-04 EP disclosed
US-20120165294-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES GALLEY GUIDO (DE) 2012-06-28 US disclosed
US-20100041686-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-02-18 US disclosed
US-20100029589-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES HOFFMANN-LA ROCHE INC. 2010-02-04 US disclosed
WO-2010010014-A1 4,5-DIHYDRO-OXAZOL-2-YL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-01-28 WO 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 (3 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-20100029589-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R ALDH1A1 209/4885CYP3A4 174/4885CYP2C9 142/4885
US-20100041686-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R ALDH1A1 209/4885CYP3A4 174/4885CYP2C9 142/4885
US-20120165294-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R ALDH1A1 209/4885CYP3A4 174/4885CYP2C9 142/4885

“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.