SCHEMBL4133913

SCHEMBL4133913

CCC(C(=O)O)c1ccc(NC2=NC(=O)C(=Cc3cc(-c4cc(F)ccc4OC)ccc3O)S2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSA P10619 8/20 0.36
ERN1 O75460 1/20 0.34
ALOX5 P09917 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HPGD P15428 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
MCL1 Q07820 1/20 0.32
ABL1 P00519 1/20 0.32
MMEL1 Q495T6 1/20 0.32
CISD1 Q9NZ45 1/20 0.32

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
SCHEMBL4133910 1.00 CTSA (0.36) CTSAERN1ALOX5MEN1KMT2A
SCHEMBL4132689 0.91 CTSA (0.36) CTSAERN1ALOX5MEN1KMT2A
SCHEMBL4132687 0.91 CTSA (0.36) CTSAERN1ALOX5MEN1KMT2A
SCHEMBL4132809 0.82 MMEL1 (0.35) CTSAERN1ALOX5MEN1KMT2A
SCHEMBL4132813 0.82 MMEL1 (0.35) CTSAERN1ALOX5MEN1KMT2A
SCHEMBL4127918 0.78 CCNT1 (0.39) CTSAERN1ALOX5MEN1KMT2A
SCHEMBL4127922 0.78 CCNT1 (0.39) CTSAERN1ALOX5MEN1KMT2A
SCHEMBL4129153 0.74 PTP4A3 (0.46) ALOX5MEN1KMT2AHPGDALDH1A1
SCHEMBL4129152 0.74 PTP4A3 (0.46) ALOX5MEN1KMT2AHPGDALDH1A1
SCHEMBL4127232 0.74 KMT2A (0.39) MEN1KMT2AHPGDALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090088432-A1 Thiazolinones and Oxazolinones and their Use as Ptp1b Inhibitors TORRENT PHARMACEUTICALS LIMITED (IN) 2009-04-02 US claimed
US-20090088432-A1 Thiazolinones and Oxazolinones and their Use as Ptp1b Inhibitors TORRENT PHARMACEUTICALS LIMITED (IN) 2009-04-02 US 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-20090088432-A1 Thiazolinones and Oxazolinones and their Use as Ptp1b Inhibitors PTPRF, PTPA, PTPRJ CTSA 2731/4885ERN1 2973/4885ALOX5 3505/4885

“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.