SCHEMBL6286142

SCHEMBL6286142

COC(=O)CC(O)c1c[nH]c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
MGAM O43451 6/20 0.50
GAA P10253 6/20 0.50
SI P14410 6/20 0.50
MGAM2 Q2M2H8 6/20 0.50
ALOX5 P09917 2/20 0.50
NR4A2 P43354 1/20 0.50
CREBBP Q92793 1/20 0.50
MAPT P10636 2/20 0.49
PKM P14618 2/20 0.49
MEN1 O00255 1/20 0.49
GPR84 Q9NQS5 3/20 0.49
FFAR1 O14842 2/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.46
MAPK1 P28482 1/20 0.46
NOD2 Q9HC29 1/20 0.46

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
SCHEMBL6284347 0.86 KMT2A (0.61) KMT2AMGAMGAASIMGAM2
SCHEMBL6652768 0.86 HTR2A (0.57) KMT2AMGAMGAASIMGAM2
SCHEMBL6652775 0.86 HTR2A (0.57) KMT2AMGAMGAASIMGAM2
SCHEMBL6653117 0.86 HTR2A (0.57) KMT2AMGAMGAASIMGAM2
SCHEMBL6288442 0.85 KMT2A (0.48) KMT2AMGAMGAASIMGAM2
SCHEMBL5185845 0.83 MGAM (0.67) KMT2AMGAMGAASIMGAM2
SCHEMBL27751082 0.83 GPR84 (0.55) KMT2AMGAMGAASIMGAM2
SCHEMBL6288559 0.82 MGAM (0.57) KMT2AMGAMGAASIMGAM2
SCHEMBL6287232 0.78 ALDH1A1 (0.55) KMT2AMGAMGAASIMGAM2
SCHEMBL7664568 0.77 TNF (0.53) KMT2AMGAMGAASIMGAM2

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 KMT2A 629/4885MGAM 2915/4885GAA 3493/4885

“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.