SCHEMBL18082602

SCHEMBL18082602

C[C@@H](C[C@@H]1CCCO1)C(=O)[C@@]1(C)CO1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 3/20 0.38
TP53 P04637 1/20 0.38
ALOX12 P18054 1/20 0.38
LMNA P02545 3/20 0.38
MEN1 O00255 3/20 0.38
POLB P06746 1/20 0.36
HTT P42858 1/20 0.34
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL18082594 1.00 KMT2A (0.39) KMT2ASMN1; SMN2USP2HPGDTP53
SCHEMBL16227905 0.79 KMT2A (0.38) KMT2ASMN1; SMN2USP2HPGDTP53
SCHEMBL16227899 0.79 KMT2A (0.38) KMT2ASMN1; SMN2USP2HPGDTP53
SCHEMBL16228619 0.79 KMT2A (0.38) KMT2ASMN1; SMN2USP2HPGDTP53
SCHEMBL16227903 0.79 KMT2A (0.38) KMT2ASMN1; SMN2USP2HPGDTP53
SCHEMBL16228618 0.79 KMT2A (0.38) KMT2ASMN1; SMN2USP2HPGDTP53
SCHEMBL16118979 0.78 PSMB5 (0.38)
SCHEMBL16118757 0.78 PSMB5 (0.38)
SCHEMBL7363208 0.78 USP2 (0.42) KMT2ASMN1; SMN2USP2HPGDTP53
SCHEMBL1716534 0.77 USP2 (0.45) KMT2ASMN1; SMN2USP2HPGDTP53

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-20160368946-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. 2016-12-22 US disclosed
US-9434761-B2 Tripeptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2016-09-06 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-20160368946-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS PREP, CTRL, ENPEP KMT2A 1485/4885SMN1; SMN2 2362/4885USP2 477/4885

“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.