SCHEMBL1987980

SCHEMBL1987980

O=C(N[C@@H]1[C@H](O)CCC[C@@H]1NC(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
GAA P10253 1/20 0.56
CPB1 P15086 2/20 0.55
CTSB P07858 3/20 0.54
CTSK P43235 3/20 0.54
CTSS P25774 2/20 0.54
TSHR P16473 1/20 0.54
CASP3 P42574 3/20 0.53
CTSL P07711 2/20 0.52
EPHX1 P07099 1/20 0.51
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL12564542 1.00 ALDH1A1 (0.56) ALDH1A1GAACPB1CTSBCTSK
SCHEMBL30468855 1.00 ALDH1A1 (0.56) ALDH1A1GAACPB1CTSBCTSK
SCHEMBL2848375 0.91 ALDH1A1 (0.57) ALDH1A1GAACPB1CTSBCTSK
SCHEMBL5896895 0.91 ALDH1A1 (0.57) ALDH1A1GAACPB1CTSBCTSK
SCHEMBL5896898 0.91 ALDH1A1 (0.57) ALDH1A1GAACPB1CTSBCTSK
SCHEMBL5897658 0.91 ALDH1A1 (0.57) ALDH1A1GAACPB1CTSBCTSK
SCHEMBL31064941 0.91 ALDH1A1 (0.57) ALDH1A1GAACPB1CTSBCTSK
SCHEMBL5897664 0.91 ALDH1A1 (0.57) ALDH1A1GAACPB1CTSBCTSK
SCHEMBL18544232 0.88 EPHX1 (0.58) ALDH1A1GAACPB1CTSBCTSK
SCHEMBL13917140 0.88 EPHX1 (0.58) ALDH1A1GAACPB1CTSBCTSK

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295171-A1 FUSED HETEROAROMATIC PYRROLIDINONES WELLS THERAPEUTICS, INC. 2023-09-21 US disclosed
US-20230295171-A1 FUSED HETEROAROMATIC PYRROLIDINONES WELLS THERAPEUTICS, INC. 2023-09-21 US disclosed
US-20230295171-A1 FUSED HETEROAROMATIC PYRROLIDINONES WELLS THERAPEUTICS, INC. 2023-09-21 US disclosed
EP-3825316-A1 FUSED HETEROAROMATIC PYRROLIDINONES AS SYK INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2021-05-26 EP disclosed
EP-3825316-A1 FUSED HETEROAROMATIC PYRROLIDINONES AS SYK INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2021-05-26 EP disclosed
EP-3489236-B1 PROCESS FOR THE PREPARATION OF FUSED HETEROAROMATIC PYRROLIDINONES TAKEDA PHARMACEUTICALS CO (JP) 2020-09-30 EP disclosed
EP-3489236-B1 PROCESS FOR THE PREPARATION OF FUSED HETEROAROMATIC PYRROLIDINONES TAKEDA PHARMACEUTICALS CO (JP) 2020-09-30 EP disclosed
EP-3489236-A1 PROCESS FOR THE PREPARATION OF FUSED HETEROAROMATIC PYRROLIDINONES Takeda Pharmaceutical Company Limited (JP) 2019-05-29 EP disclosed
EP-3489236-A1 PROCESS FOR THE PREPARATION OF FUSED HETEROAROMATIC PYRROLIDINONES Takeda Pharmaceutical Company Limited (JP) 2019-05-29 EP disclosed
EP-2902392-B1 Fused heteroaromatic pyrrolidinones as syk inhibitors TAKEDA PHARMACEUTICALS CO (JP) 2018-10-17 EP disclosed
US-8440689-B2 Fused heteroaromatic pyrrolidinones TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-14 US disclosed
US-8440689-B2 Fused heteroaromatic pyrrolidinones TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-14 US disclosed
US-8440689-B2 Fused heteroaromatic pyrrolidinones TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-14 US disclosed
US-20130116260-A1 FUSED HETEROAROMATIC PYRROLIDINONES AS SYK INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-09 US disclosed
US-20130116260-A1 FUSED HETEROAROMATIC PYRROLIDINONES AS SYK INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-09 US disclosed
US-20130116260-A1 FUSED HETEROAROMATIC PYRROLIDINONES AS SYK INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-09 US disclosed
WO-2011079051-A1 FUSED HETEROAROMATIC PYRROLIDINONES AS SYK INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-30 WO disclosed
US-20110152273-A1 FUSED HETEROAROMATIC PYRROLIDINONES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-23 US disclosed
US-20110152273-A1 FUSED HETEROAROMATIC PYRROLIDINONES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-23 US disclosed
US-20110152273-A1 FUSED HETEROAROMATIC PYRROLIDINONES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-23 US 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 (3 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-20130116260-A1 FUSED HETEROAROMATIC PYRROLIDINONES AS SYK INHIBITORS SYK, BTK, LYN ALDH1A1 1660/4885GAA 2421/4885CPB1 3468/4885
US-20110152273-A1 FUSED HETEROAROMATIC PYRROLIDINONES SYK, ZAP70, LYN ALDH1A1 824/4885GAA 2316/4885CPB1 3844/4885
US-20230295171-A1 FUSED HETEROAROMATIC PYRROLIDINONES SYK, ZAP70, LYN ALDH1A1 824/4885GAA 2316/4885CPB1 3844/4885

“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.