SCHEMBL23943671

SCHEMBL23943671

CC(C)C(NC(=O)CCC(C)(C)C)C(=O)N[C@@H](C)C(=O)Nc1ccc(CC(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 1/20 0.41
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ BACE1 P56817 1/20 0.34
▸ GHSR Q92847 1/20 0.34
▸ SDCBP O00560 1/20 0.34
▸ SDC2 P34741 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
SCHEMBL23943398 0.91 MEN1 (0.40) CASP1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL23943397 0.91 MEN1 (0.40) CASP1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL24916517 0.91 CASP1 (0.41) CASP1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL24496722 0.91 KMT2A (0.46) CASP1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL26445322 0.90 GAA (0.44) CASP1KMT2AMEN1SMN1; SMN2GAA
SCHEMBL24916607 0.89 GAA (0.43) CASP1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL24496736 0.89 CASP1 (0.44) CASP1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL22854050 0.89 CASP1 (0.44) CASP1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL23191620 0.81 CASP1 (0.38) CASP1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL23191619 0.81 CASP1 (0.38) CASP1KMT2AMEN1HTTSMN1; SMN2

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-20230022596-A1 NEOANTIGEN-ELICITING ANTIBODY DRUG CONJUGATES FOR THE IMMUNOTHERAPY OF CANCER HURT CLARENCE (US) 2023-01-26 — — US disclosed
US-20210324031-A1 COMPOUNDS, COMPOSITIONS, METHODS, AND USES FOR TREATING LEPTIN RESISTANCE, OBESITY, DIABETES MELLITUS AND METABOLIC SYNDROME LINK THERAPEUTICS, LLC 2021-10-21 — — 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 (2 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-20230022596-A1 NEOANTIGEN-ELICITING ANTIBODY DRUG CONJUGATES FOR THE IMMUNOTHERAPY OF CANCER TP53, KLK3, HLA-A CASP1 2389/4885KMT2A 2152/4885MEN1 804/4885
US-20210324031-A1 COMPOUNDS, COMPOSITIONS, METHODS, AND USES FOR TREATING LEPTIN RESISTANCE, OBESITY, DIABETES MELLITUS AND METABOLIC SYNDROME LIPE, GPR119, FABP4 CASP1 1723/4885KMT2A 4104/4885MEN1 2439/4885

“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.

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