SCHEMBL6284340

SCHEMBL6284340

CCOC(=O)C(C)([O])c1c[nH]c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPT P10636 4/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
ATM Q13315 1/20 0.45
LMNA P02545 2/20 0.44
NR4A2 P43354 1/20 0.42
CREBBP Q92793 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42

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
SCHEMBL6286136 0.84 NR4A2 (0.53) SMN1; SMN2MAPTALDH1A1KMT2AMEN1
SCHEMBL29225207 0.83 PKM (0.53) PKMSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL6288439 0.83 KMT2A (0.48) PKMMAPTALDH1A1KMT2AMEN1
SCHEMBL3583719 0.80 PKM (0.50) PKMSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL14495565 0.80 PKM (0.50) PKMSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL6288556 0.79 PBRM1 (0.49) SMN1; SMN2MAPTKDM4EALDH1A1KMT2A
SCHEMBL16791428 0.78 PKM (0.58) PKMSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL8706224 0.77 PKM (0.63) PKMSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL14495545 0.76 PKM (0.46) PKMSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL15245643 0.76 PKM (0.54) PKMSMN1; SMN2CYP1A2CYP3A4CYP2D6

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.