SCHEMBL3430499

SCHEMBL3430499

COC(=O)[C@@H]1[C@H](C)C(=O)CN1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.40
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.36
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 1/20 0.35
PDE4B Q07343 1/20 0.34
BRD4 O60885 1/20 0.33
MMP2 P08253 1/20 0.33
ANPEP P15144 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
HSD11B1 P28845 1/20 0.33
NPC1 O15118 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
HDAC8 Q9BY41 1/20 0.32

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
SCHEMBL18094061 1.00 PTPN1 (0.40) PTPN1ALDH1A1MAPK1NR1H2NR1H3
SCHEMBL3430523 1.00 PTPN1 (0.40) PTPN1ALDH1A1MAPK1NR1H2NR1H3
SCHEMBL21561528 1.00 PTPN1 (0.40) PTPN1ALDH1A1MAPK1NR1H2NR1H3
SCHEMBL15423572 0.91 MAPK1 (0.41) PTPN1MAPK1NR1H2HSD11B1CHRM2
SCHEMBL15423566 0.91 MAPK1 (0.41) PTPN1MAPK1NR1H2HSD11B1CHRM2
SCHEMBL3431028 0.85 HSD17B10 (0.38) MAPK1NR1H2HSD11B1CHRM2CHRM1
SCHEMBL19256440 0.82 PTPN1 (0.40) PTPN1ALDH1A1MAPK1NR1H2NR1H3
SCHEMBL18771187 0.81 PTPN1 (0.45) PTPN1MAPK1NR1H2NR1H3NFKB1
SCHEMBL18771188 0.81 PTPN1 (0.45) PTPN1MAPK1NR1H2NR1H3NFKB1
SCHEMBL15719003 0.80 CYP1A2 (0.36) ALDH1A1BRD4MMP2ANPEP

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-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 US disclosed
US-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 US disclosed
WO-2012040242-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-03-29 WO 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-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION VIP, EIF2AK2, PREP PTPN1 3585/4885ALDH1A1 1706/4885MAPK1 2575/4885

“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.