SCHEMBL6284438

SCHEMBL6284438

COC(=O)C([O])Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.54
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
ALDH1A1 P00352 2/20 0.53
THRB P10828 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CA12 O43570 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
POLB P06746 3/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
GFER P55789 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL6283432 0.83 MMP8 (0.59) ALDH1A1HSD17B10POLBKMT2AMEN1
SCHEMBL1008399 0.83 POLB (0.54) ATMCYP2C9CYP2C19ALDH1A1THRB
SCHEMBL10339292 0.82 KMT2A (0.65) ATMCYP2C9CYP2C19ALDH1A1THRB
SCHEMBL1442737 0.82 MMP8 (0.58) ATMCYP2C9CYP2C19ALDH1A1THRB
SCHEMBL7279699 0.81 ATM (0.54) ATMCYP2C9CYP2C19ALDH1A1THRB
SCHEMBL391783 0.81 PPARG (0.61) ATMCYP2C9CYP2C19ALDH1A1THRB
SCHEMBL2600694 0.81 ALDH1A1 (0.60) ATMCYP2C9CYP2C19ALDH1A1THRB
SCHEMBL979240 0.81 KMT2A (0.55) ATMCYP2C9CYP2C19ALDH1A1THRB
SCHEMBL4326937 0.81 ALDH1A1 (0.55) ALDH1A1KMT2ALMNAL3MBTL1
SCHEMBL517463 0.81 ALDH1A1 (0.60) ATMCYP2C9CYP2C19ALDH1A1THRB

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 ATM 1709/4885CYP2C9 3509/4885CYP2C19 3105/4885

“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.