SCHEMBL21097019

SCHEMBL21097019

C=CC(=O)N1CCC[C@@H](C(=O)NC(C)(C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DUSP22 Q9NRW4 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
JAK3 P52333 10/20 0.38
LMNA P02545 2/20 0.38
ACKR3 P25106 1/20 0.38
JAK1 P23458 2/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
F2R P25116 1/20 0.37
BTK Q06187 2/20 0.37
EGFR P00533 1/20 0.37

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
SCHEMBL21097023 1.00 DUSP22 (0.40) DUSP22KMT2AMEN1POLBJAK3
SCHEMBL21097015 0.91 LMNA (0.46) KMT2APOLBJAK3LMNAACKR3
SCHEMBL21097025 0.85 ITGB3 (0.34) DUSP22KMT2AMEN1JAK3ACKR3
SCHEMBL2757960 0.82 MAPK8 (0.43) DUSP22KMT2AMEN1POLBLMNA
SCHEMBL16095734 0.82 LMNA (0.45) DUSP22KMT2AMEN1POLBLMNA
SCHEMBL21097026 0.82 KMT2A (0.51) KMT2AMEN1POLBJAK3LMNA
SCHEMBL2757957 0.81 HPGD (0.50) DUSP22KMT2AMEN1POLBLMNA
SCHEMBL21097022 0.81 BCHE (0.43) JAK3LMNAITGB3ITGA2BF2R
SCHEMBL19230457 0.79 ALDH1A1 (0.41) JAK3LMNAJAK1BTKEGFR
SCHEMBL2757938 0.78 MEN1 (0.48) DUSP22KMT2AMEN1LMNAITGB3

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 DUSP22 1279/4885KMT2A 3692/4885MEN1 1644/4885

“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.