SCHEMBL7144830

SCHEMBL7144830

O=C(O)CN1C(=O)C(=Cc2ccc(OCCCc3ccccc3)cc2OCCCc2ccccc2)SC1=S

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 14/20 0.75
PTPN1 P18031 8/20 0.70
PTPN2 P17706 3/20 0.70
MEN1 O00255 2/20 0.60
POLB P06746 2/20 0.60
KMT2A Q03164 2/20 0.60
MMP3 P08254 2/20 0.59
MMP13 P45452 2/20 0.59
GFER P55789 1/20 0.58

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
SCHEMBL7143955 0.95 AKR1B1 (0.71) AKR1B1PTPN1PTPN2MEN1POLB
SCHEMBL7143950 0.95 AKR1B1 (0.71) AKR1B1PTPN1PTPN2MEN1POLB
SCHEMBL7148450 0.95 AKR1B1 (0.74) AKR1B1PTPN1PTPN2MEN1POLB
SCHEMBL7144796 0.94 AKR1B1 (0.77) AKR1B1PTPN1PTPN2MMP3MMP13
SCHEMBL7144793 0.94 AKR1B1 (0.77) AKR1B1PTPN1PTPN2MMP3MMP13
SCHEMBL7146825 0.92 POLB (0.66) AKR1B1PTPN1PTPN2MEN1POLB
SCHEMBL7146822 0.92 POLB (0.66) AKR1B1PTPN1PTPN2MEN1POLB
SCHEMBL7145550 0.91 AKR1B1 (0.72) AKR1B1PTPN1PTPN2MEN1POLB
SCHEMBL7145553 0.91 AKR1B1 (0.72) AKR1B1PTPN1PTPN2MEN1POLB
SCHEMBL7149394 0.91 POLB (0.73) AKR1B1PTPN1PTPN2MEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6506755-B2 5-((2,4-bis-(4-methylphenylmethoxy)phenyl)methylene)-4-oxo-2-thioxo-3 -thiazolidineacetic acid, for example; treatment and prophylaxis of tumors and tumor metastasis HOFFMANN-LA ROCHE INC. 2003-01-14 US disclosed
US-20020037901-A1 Thiazolidinecarboxyl acids HOFFMANN-LA ROCHE INC. 2002-03-28 US disclosed
EP-1189894-A1 THIAZOLIDINE CARBOXYLIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2002-03-27 EP disclosed
WO-2001057006-A1 THIAZOLIDINE CARBOXYLIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2001-08-09 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 (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-20020037901-A1 Thiazolidinecarboxyl acids TPMT, NAT1, THRA AKR1B1 281/4885PTPN1 312/4885PTPN2 449/4885

“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.