SCHEMBL21097015

SCHEMBL21097015

C=CC(=O)N1CC[C@H](C(=O)NC(C)(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
ACKR3 P25106 1/20 0.41
JAK3 P52333 2/20 0.39
TEAD1 P28347 6/20 0.37
BTK Q06187 1/20 0.37
TEAD3 Q99594 1/20 0.36
CCNT1 O60563 1/20 0.36
CDK2 P24941 1/20 0.36
CDK7 P50613 1/20 0.36
CDK9 P50750 1/20 0.36
CCNH P51946 1/20 0.36
MNAT1 P51948 1/20 0.36
CCNA1 P78396 1/20 0.36
PKM P14618 1/20 0.35
TP53 P04637 1/20 0.35
CCNK O75909 2/20 0.35
CDK12 Q9NYV4 2/20 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
SCHEMBL21097019 0.91 DUSP22 (0.40) LMNAPOLBKMT2AACKR3JAK3
SCHEMBL21097023 0.91 DUSP22 (0.40) LMNAPOLBKMT2AACKR3JAK3
SCHEMBL21097026 0.91 KMT2A (0.51) LMNAPOLBKMT2ASMN1; SMN2ACKR3
SCHEMBL25837407 0.83 ALDH1A1 (0.40) SMN1; SMN2JAK3TEAD1BTKTEAD3
SCHEMBL26502211 0.83 ALDH1A1 (0.40) SMN1; SMN2JAK3TEAD1BTKTEAD3
SCHEMBL2146353 0.81 LMNA (0.56) LMNAPOLBKMT2ASMN1; SMN2ACKR3
SCHEMBL26077171 0.79 KDM5A (0.46) LMNAKMT2AJAK3TEAD1TEAD3
SCHEMBL21097014 0.79 MEN1 (0.55) LMNAPOLBKMT2ASMN1; SMN2JAK3
SCHEMBL26073815 0.79 MEN1 (0.55) LMNAPOLBKMT2ASMN1; SMN2JAK3
SCHEMBL21097025 0.78 ITGB3 (0.34) KMT2AACKR3JAK3BTKPKM

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
US-20190185518-A9 WARHEAD-CONTAINING PEPTIDOMIMETIC MACROCYCLES AS MODULATORS OF BFL-1 AILERON THERAPEUTICS, INC. 2019-06-20 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-20190185518-A9 WARHEAD-CONTAINING PEPTIDOMIMETIC MACROCYCLES AS MODULATORS OF BFL-1 BCL2L11, BCL2L1, BCL2L13 LMNA 3482/4885POLB 1736/4885KMT2A 3692/4885

“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.