SCHEMBL17075655

SCHEMBL17075655

CC[C@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MMP2 P08253 1/20 0.42
MMP13 P45452 1/20 0.42
MMP14 P50281 1/20 0.42
ADAM17 P78536 1/20 0.42
HPGD P15428 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
CTSK P43235 1/20 0.36
USP30 Q70CQ3 2/20 0.36
RECQL P46063 1/20 0.36
EPHX1 P07099 1/20 0.36
SCD5 Q86SK9 1/20 0.35
NR1H2 P55055 1/20 0.35

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
SCHEMBL772536 1.00 USP2 (0.43) USP2SMN1; SMN2MMP2MMP13MMP14
SCHEMBL772537 1.00 USP2 (0.43) USP2SMN1; SMN2MMP2MMP13MMP14
SCHEMBL34474243 0.91 USP2 (0.45) USP2SMN1; SMN2CYP4F2CYP4A11USP30
SCHEMBL22978724 0.89 MMP2 (0.42) USP2SMN1; SMN2MMP2MMP13MMP14
SCHEMBL17075656 0.89 CYP4F2 (0.45) USP2SMN1; SMN2MMP2MMP13MMP14
SCHEMBL25272101 0.87 MMP2 (0.41) USP2SMN1; SMN2MMP2MMP13MMP14
SCHEMBL17371376 0.86 MMP2 (0.43) USP2SMN1; SMN2MMP2MMP13MMP14
SCHEMBL3497339 0.86 MMP2 (0.41) USP2SMN1; SMN2MMP2MMP13MMP14
SCHEMBL2888789 0.85 L3MBTL1 (0.47) USP2SMN1; SMN2MMP2MMP13MMP14
SCHEMBL4581228 0.85 USP2 (0.46) USP2SMN1; SMN2HPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9403831-B2 Triazolopyrazine derivative and use thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2016-08-02 US disclosed
US-20150259350-A1 NOVEL TRIAZOLOPYRAZINE DERIVATIVE AND USE THEREOF HANDOK INC. (KR) 2015-09-17 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 (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-20150259350-A1 NOVEL TRIAZOLOPYRAZINE DERIVATIVE AND USE THEREOF MET, RET, BRAF USP2 3594/4885SMN1; SMN2 3983/4885MMP2 1690/4885

“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.