SCHEMBL24708583

SCHEMBL24708583

COC(=O)CCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(C)=O)C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
POLB P06746 1/20 0.50
HDAC1 Q13547 6/20 0.44
HDAC6 Q9UBN7 6/20 0.44
NOD1 Q9Y239 1/20 0.43

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
SCHEMBL13236361 0.89 POLB (0.59) KMT2APOLBHDAC1HDAC6NOD1
SCHEMBL13236359 0.86 KMT2A (0.50) KMT2APOLB
SCHEMBL7761870 0.85 KMT2A (0.64) KMT2APOLBNOD1
SCHEMBL7208303 0.85 KMT2A (0.64) KMT2APOLBNOD1
SCHEMBL28083227 0.85 KMT2A (0.64) KMT2APOLBNOD1
SCHEMBL28083226 0.85 KMT2A (0.64) KMT2APOLBNOD1
SCHEMBL13079813 0.84 KMT2A (0.58) KMT2APOLBHDAC1HDAC6NOD1
SCHEMBL28790681 0.81 L3MBTL1 (0.54) KMT2APOLB
SCHEMBL28790680 0.81 L3MBTL1 (0.54) KMT2APOLB
SCHEMBL16948612 0.80 KMT2A (0.51) KMT2APOLBNOD1

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-20220396563-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2022-12-15 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-20220396563-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH KMT2A 4295/4885POLB 3304/4885HDAC1 1872/4885

“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.