SCHEMBL17898504

SCHEMBL17898504

CC(C)(C)C(=O)N1CCC(=O)CC1=O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
MDM2 Q00987 1/20 0.35
LMNA P02545 1/20 0.34
KMT2A Q03164 3/20 0.33
RIPK1 Q13546 2/20 0.33
MEN1 O00255 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
MITF O75030 1/20 0.31

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
SCHEMBL12015352 0.85 ITGB1 (0.39) LMNAKMT2ARIPK1MEN1SMN1; SMN2
SCHEMBL17898502 0.79 KMT2A (0.32) KMT2ARIPK1MEN1
SCHEMBL17902633 0.79 NOTUM (0.40) TP53MDM2LMNACYP2C9
SCHEMBL12015351 0.78 LMNA (0.53) LMNAKMT2ARIPK1MEN1SMN1; SMN2
SCHEMBL356535 0.77 LMNA (0.38) TP53MDM2LMNA
SCHEMBL12015371 0.76 SMN1; SMN2 (0.51) TP53MDM2LMNAKMT2ARIPK1
SCHEMBL138570 0.76 USP2 (0.40) SMN1; SMN2MAPT
SCHEMBL15782150 0.74 POLB (0.40) TP53MDM2LMNAKMT2A
SCHEMBL15782152 0.74 LMNA (0.46) TP53MDM2LMNASMN1; SMN2CYP1A2
SCHEMBL17898510 0.74 CYP2D6 (0.34) TP53MDM2LMNASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9977024-B2 Targeted covalent probes and inhibitors of proteins containing redox-sensitive cysteines THE SCRIPPS RESEARCH INSTITUTE (US) 2018-05-22 US disclosed
US-9977024-B2 Targeted covalent probes and inhibitors of proteins containing redox-sensitive cysteines THE SCRIPPS RESEARCH INSTITUTE (US) 2018-05-22 US disclosed
US-20160195532-A1 Targeted Covalent Probes and Inhibitors of Proteins Containing Redox-Sensitive Cysteines THE SCRIPPS RESEARCH INSTITUTE 2016-07-07 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-20160195532-A1 Targeted Covalent Probes and Inhibitors of Proteins Containing Redox-Sensitive Cysteines PTMS, RSU1, QSOX1 TP53 1151/4885MDM2 839/4885LMNA 4645/4885

“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.