SCHEMBL6286433

SCHEMBL6286433

Cc1ccc(-n2cccc2-c2ccc(O)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.47
ACHE P22303 1/20 0.45
PTGS1 P23219 2/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.42
ALDH1A1 P00352 2/20 0.40
AR P10275 1/20 0.40
RECQL P46063 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
PCSK9 Q8NBP7 1/20 0.35
EGLN2 Q96KS0 1/20 0.35
HDAC8 Q9BY41 1/20 0.35

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 0.91 PTGS2 (0.49) PTGS2PTGS1MEN1KMT2AMAPT
SCHEMBL6283123 0.84 MMP3 (0.46) PTGS2PTGS1MEN1KMT2AMAPT
SCHEMBL6287408 0.83 KMT2A (0.45) PTGS2PTGS1MEN1KMT2AMAPT
SCHEMBL6282870 0.83 PTGS2 (0.43) PTGS2PTGS1MEN1KMT2AMAPT
SCHEMBL6279628 0.83 KMT2A (0.45) PTGS2PTGS1MEN1KMT2AMAPT
SCHEMBL6287434 0.80 ALDH1A1 (0.50) PTGS2ACHEPTGS1KMT2AMAPT
SCHEMBL7210560 0.80 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL7216178 0.80 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL5312538 0.78 PTGS2 (0.76) PTGS2PTGS1RECQL
SCHEMBL5311655 0.78 PTGS2 (0.76) PTGS2PTGS1RECQL

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 4202/4885ACHE 4849/4885PTGS1 2849/4885

“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.