SCHEMBL21702407

SCHEMBL21702407

CCOC(=O)COc1c(C(=O)OCC)sc(-c2cccc(NC3CCNCC3)c2)c1Br

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 20/20 0.70
PTPN2 P17706 7/20 0.53
PTPRC P08575 1/20 0.49
CYP2C9 P11712 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
SCHEMBL3909235 0.96 PTPN1 (0.69) PTPN1PTPN2PTPRCCYP2C9
Hydrochloric Acid SCHEMBL3906442 0.95 PTPN1 (0.68) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL6266016 0.93 PTPN1 (0.81) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3908135 0.89 PTPN1 (0.73) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3914646 0.88 PTPN1 (0.68) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3905250 0.87 PTPN1 (0.68) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3908153 0.87 PTPN1 (0.68) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3914717 0.87 PTPN1 (0.57) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3906486 0.87 PTPN1 (0.61) PTPN1PTPN2PTPRCCYP2C9
Hydrochloric Acid SCHEMBL3914713 0.87 PTPN1 (0.56) PTPN1PTPN2PTPRCCYP2C9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020033129-A1 REJUVENATION OF CAR T CELL PURDUE RESEARCH FOUNDATION (US) 2020-02-13 WO disclosed