SCHEMBL6282882

SCHEMBL6282882

Oc1ccc(-c2cccn2-c2ccc(-c3ccc(F)c(F)c3F)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.43
PTGS1 P23219 3/20 0.43
ESR1 P03372 10/20 0.41
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
GRIA1 P42261 1/20 0.32
CACNG8 Q8WXS5 1/20 0.32
CACNG2 Q9Y698 1/20 0.32
ESRRA P11474 1/20 0.32
ESR2 Q92731 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
SCHEMBL6282904 0.82 PTGS2 (0.49) PTGS2PTGS1ESR1LMNAMEN1
SCHEMBL1513625 0.78 ESR1 (0.43) ESR1ESR2
SCHEMBL6282870 0.77 PTGS2 (0.43) PTGS2PTGS1LMNAMEN1MAPT
SCHEMBL6283123 0.75 MMP3 (0.46) PTGS2PTGS1ESR1LMNAMEN1
SCHEMBL6279628 0.74 KMT2A (0.45) PTGS2PTGS1ESR1LMNAMEN1
SCHEMBL6286433 0.74 PTGS2 (0.47) PTGS2PTGS1ESR1LMNAMEN1
SCHEMBL6287408 0.74 KMT2A (0.45) PTGS2PTGS1ESR1LMNAMEN1
SCHEMBL28427770 0.69 HDAC3 (0.43) ESR1MEN1MAPTKMT2AESR2
SCHEMBL7211950 0.69 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL7216178 0.69 PTGS2 (0.74) PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6911468-B2 Tyrosine phosphatase inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-06-28 US disclosed
US-20030144338-A1 Tyrosine phosphatase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-07-31 US disclosed
EP-1284260-A1 TYROSINE PHOSPHATASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-02-19 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-20030144338-A1 Tyrosine phosphatase inhibitors PTPRC, PTPN1, PTPRM PTGS2 4202/4885PTGS1 2849/4885ESR1 3084/4885

“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.