SCHEMBL7142541

SCHEMBL7142541

O=C(O)CN1C(=O)/C(=C/c2ccc(OCCCc3ccccc3)c(OCCCc3ccccc3)c2)SC1=S

nearest known ligand 0.93

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 1/20 0.80
AKR1B1 P15121 5/20 0.77
PTPN1 P18031 3/20 0.73
PTPN2 P17706 1/20 0.72

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
SCHEMBL7142543 1.00 ADAMTS5 (0.80) ADAMTS5AKR1B1PTPN1PTPN2
SCHEMBL21326681 0.95 ADAMTS5 (0.82) ADAMTS5AKR1B1PTPN1
SCHEMBL5218728 0.92 ADAMTS5 (0.89) ADAMTS5AKR1B1PTPN1
SCHEMBL5218721 0.92 ADAMTS5 (0.89) ADAMTS5AKR1B1PTPN1
SCHEMBL245003 0.89 ADAMTS5 (1.00) ADAMTS5AKR1B1PTPN1
SCHEMBL186520 0.89 ADAMTS5 (1.00) ADAMTS5AKR1B1PTPN1
SCHEMBL5218688 0.88 ADAMTS5 (0.82) ADAMTS5
SCHEMBL5218697 0.88 ADAMTS5 (0.82) ADAMTS5
SCHEMBL5219686 0.87 ADAMTS5 (0.84) ADAMTS5AKR1B1PTPN1
SCHEMBL5219681 0.87 ADAMTS5 (0.84) ADAMTS5AKR1B1PTPN1

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-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

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 ADAMTS5 2515/4885AKR1B1 281/4885PTPN1 312/4885

“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.