SCHEMBL2102123

SCHEMBL2102123

CCN1C[C@@H](OC(=O)N2CCc3ccccc3C2)C[C@@H]1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.44
ABHD6 Q9BV23 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 2/20 0.42
HPGD P15428 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NLRP3 Q96P20 1/20 0.41
PRMT5 O14744 3/20 0.41

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
SCHEMBL12849165 0.86 NOTUM (0.45) NOTUMABHD6KDM4EHTTHPGD
SCHEMBL2608464 0.85 NOTUM (0.47) NOTUMABHD6KDM4EHTTHPGD
SCHEMBL13223170 0.84 NOTUM (0.52) NOTUMABHD6KDM4EHTTHPGD
SCHEMBL12849167 0.84 ABHD6 (0.44) NOTUMABHD6KDM4EHTTHPGD
SCHEMBL13047495 0.82 NOTUM (0.43) NOTUMABHD6KDM4EHTTHPGD
SCHEMBL2608463 0.82 NOTUM (0.43) NOTUMABHD6KDM4EHTTHPGD
SCHEMBL3739001 0.81 PRMT5 (0.48) NOTUMABHD6PRMT5WDR77
SCHEMBL2100310 0.81 PRMT5 (0.48) NOTUMABHD6PRMT5WDR77
SCHEMBL10174845 0.80 TMEM97 (0.48) TMEM97SIGMAR1SMN1; SMN2PRMT5WDR77
SCHEMBL8278742 0.79 NOTUM (0.50) NOTUMABHD6HTTHPGDALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163693-B2 Urea-containing peptides as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2012-04-24 US disclosed
EP-2190858-A2 UREA-CONTAINING PEPTIDES AS INHIBITORS OF VIRAL REPLICATION Achillion Pharmaceuticals, Inc. (US) 2010-06-02 EP disclosed
WO-2009042668-A2 UREA-CONTAINING PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2009-04-02 WO disclosed
US-20090082261-A1 UREA-CONTAINING PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2009-03-26 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-20090082261-A1 UREA-CONTAINING PEPTIDES AS INHIBITORS OF VIRAL REPLICATION VIP, SLC14A1, RPL35 NOTUM 3415/4885ABHD6 2763/4885KDM4E 2272/4885

“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.