SCHEMBL4575140

SCHEMBL4575140

O=C(NCc1ccccc1)C1CCCCN1C(=O)CSCP(=O)(O)O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 6/20 0.55
ALDH1A1 P00352 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
PKM P14618 1/20 0.53
CYP2C19 P33261 1/20 0.53
F2 P00734 3/20 0.52
POLB P06746 2/20 0.50
NPC1 O15118 1/20 0.48
ACE P12821 1/20 0.46
ACE2 Q9BYF1 1/20 0.46

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
SCHEMBL14079069 1.00 FKBP1A (0.55) FKBP1AALDH1A1CYP3A4CYP2C9PKM
SCHEMBL4575683 0.91 FKBP1A (0.54) FKBP1AALDH1A1CYP3A4CYP2C9F2
SCHEMBL14079076 0.91 FKBP1A (0.54) FKBP1AALDH1A1CYP3A4CYP2C9F2
SCHEMBL14079073 0.89 FKBP1A (0.60) FKBP1APOLB
SCHEMBL4575722 0.89 FKBP1A (0.60) FKBP1APOLB
SCHEMBL14079063 0.85 HCRTR1 (0.53) FKBP1AALDH1A1CYP2C9CYP2C19NPC1
SCHEMBL4575372 0.85 HCRTR1 (0.53) FKBP1AALDH1A1CYP2C9CYP2C19NPC1
SCHEMBL14079060 0.82 POLB (0.44) FKBP1AALDH1A1CYP3A4CYP2C9F2
SCHEMBL4575519 0.82 POLB (0.44) FKBP1AALDH1A1CYP3A4CYP2C9F2
SCHEMBL4575567 0.76 TACR1 (0.43) ACEACE2

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-20080194524-A1 Compounds For the Inhibition of Undesired Cell Proliferation and Use Thereof JERINI AG (DE) 2008-08-14 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-20080194524-A1 Compounds For the Inhibition of Undesired Cell Proliferation and Use Thereof CCNB1, CCNB2, CCNA1 FKBP1A 1404/4885ALDH1A1 1521/4885CYP3A4 3035/4885

“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.