SCHEMBL13595014

SCHEMBL13595014

CCNS(=O)(=O)c1cc2ccccc2s1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.56
TPSAB1 Q15661 1/20 0.52
CCR2 P41597 1/20 0.48
HDAC1 Q13547 1/20 0.45
DRD2 P14416 4/20 0.45
HTR2A P28223 4/20 0.45
HTR7 P34969 4/20 0.45
HTR6 P50406 4/20 0.45
GHSR Q92847 1/20 0.44
MCL1 Q07820 1/20 0.43
AKR1B1 P15121 1/20 0.43
ADRB2 P07550 1/20 0.42
CYP2A6 P11509 1/20 0.42
KIT P10721 1/20 0.41
MMP13 P45452 1/20 0.41
F10 P00742 1/20 0.41
RAB9A P51151 1/20 0.40
SLC9A1 P19634 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
SCHEMBL1575937 0.81 CA2 (0.61) CA2TPSAB1CCR2HDAC1DRD2
SCHEMBL8798934 0.80 CA2 (0.51) CA2TPSAB1CCR2HDAC1DRD2
Hydrochloric Acid SCHEMBL6369828 0.80 TPSAB1 (0.61) CA2TPSAB1CCR2HDAC1DRD2
SCHEMBL4425071 0.79 CA2 (0.47) CA2TPSAB1CCR2HDAC1DRD2
SCHEMBL16597959 0.78 CA2 (0.61) CA2TPSAB1CCR2HDAC1DRD2
SCHEMBL19559025 0.78 CA2 (0.59) CA2TPSAB1CCR2HDAC1DRD2
SCHEMBL7916539 0.77 CA2 (0.56) CA2TPSAB1CCR2HDAC1GHSR
SCHEMBL4188720 0.77 CCR2 (0.64) CA2TPSAB1CCR2HDAC1GHSR
SCHEMBL12157405 0.75 CA2 (0.67) CA2CCR2HDAC1GHSRAKR1B1
SCHEMBL743918 0.75 CA2 (0.67) CA2TPSAB1CCR2HDAC1AKR1B1

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-7635683-B2 Quinoxalinyl tripeptide hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2009-12-22 US disclosed
US-20080317712-A1 ARYLPIPERIDINYL AND ARYLPYRROLIDINYL TRIPEPTIDE HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-12-25 US disclosed
US-20080032936-A1 Quinoxalinyl tripeptide hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2008-02-07 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 (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-20080317712-A1 ARYLPIPERIDINYL AND ARYLPYRROLIDINYL TRIPEPTIDE HEPATITIS C SERINE PROTEASE INHIBITORS PREP, DNPEP, CTSC CA2 2971/4885TPSAB1 348/4885CCR2 1013/4885
US-20080032936-A1 Quinoxalinyl tripeptide hepatitis C virus inhibitors VIP, CTSC, PREP CA2 1722/4885TPSAB1 196/4885CCR2 1946/4885

“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.