SCHEMBL3364774

SCHEMBL3364774

Cc1c(C(=O)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)OCc2ccccc2)c(=O)oc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.49
KMT2A Q03164 1/20 0.42
FAP Q12884 1/20 0.42
FKBP1A P62942 5/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
CYP2C19 P33261 1/20 0.41
KLK7 P49862 1/20 0.41
GFER P55789 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ACE P12821 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL8202867 0.79 PREP (0.47) PREPFKBP1AGFERALDH1A1NPSR1
SCHEMBL10844332 0.79 PREP (0.55) PREPKMT2AFAPFKBP1AHSD17B10
SCHEMBL5528936 0.77 PREP (0.54) PREPKMT2AFKBP1ACYP3A4CYP2C9
SCHEMBL12272394 0.76 PREP (0.66) PREPKMT2AFKBP1ACYP3A4CYP2C9
SCHEMBL11033242 0.75 PREP (0.68) PREPKMT2AFKBP1ACYP3A4ACE
SCHEMBL11764594 0.75 PREP (0.71) PREPKMT2AFKBP1AACEALDH1A1
SCHEMBL2228388 0.75 PREP (0.71) PREPKMT2AFKBP1AACEALDH1A1
SCHEMBL5264694 0.75 PREP (0.55) PREPKMT2AGFERHSD17B10ACE
SCHEMBL28583418 0.75 PREP (0.65) PREPKMT2AFKBP1ACYP3A4CYP2C9
SCHEMBL9536494 0.75 PREP (0.47) PREPFAPFKBP1AGFERACE

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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
US-20080161324-A1 Compositions and methods for treatment of viral diseases EXCRX (SINGAPORE) PTE. LTD. (F.K.A. COMBINATORX (SINGAPORE) PTE LTD.) (SG) 2008-07-03 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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A PREP 1075/4885KMT2A 1108/4885FAP 2689/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 PREP 1392/4885KMT2A 2353/4885FAP 603/4885

“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.