SCHEMBL6284343

SCHEMBL6284343

CCOC(=O)C([O])Cc1c[nH]c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.64
SMN1; SMN2 Q16637 3/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
MAPT P10636 5/20 0.58
KDM4E B2RXH2 3/20 0.58
POLB P06746 2/20 0.58
APAF1 O14727 1/20 0.58
RECQL P46063 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
ALDH1A1 P00352 1/20 0.56
LMNA P02545 2/20 0.55
MEN1 O00255 1/20 0.55
MPO P05164 1/20 0.55
TSHR P16473 1/20 0.55
BLM P54132 1/20 0.55
PMP22 Q01453 1/20 0.55

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
SCHEMBL9449637 0.87 PKM (0.66) PKMSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL6286138 0.87 MEN1 (0.60) PKMSMN1; SMN2CYP1A2CYP2C19MAPT
SCHEMBL6278978 0.86 SMN1; SMN2 (0.68) PKMSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL9551407 0.86 MAPT (0.70) PKMSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL133958 0.85 TACR1 (0.72) PKMSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL840121 0.85 TACR1 (0.72) PKMSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL10689419 0.85 MAPT (0.64) PKMSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL839065 0.85 TACR1 (0.72) PKMSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL29632750 0.85 TACR1 (0.72) PKMSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL6288440 0.84 MAPT (0.56) PKMSMN1; SMN2MAPTKDM4EPOLB

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 PKM 2978/4885SMN1; SMN2 4638/4885CYP1A2 2824/4885

“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.