SCHEMBL3431028

SCHEMBL3431028

CC1C(=O)CN(C(=O)OC(C)(C)C)[C@@H]1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.38
MAPK1 P28482 1/20 0.35
TPSAB1 Q15661 1/20 0.34
TPSD1 Q9BZJ3 1/20 0.34
TPSG1 Q9NRR2 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HSD11B1 P28845 1/20 0.34
GPR119 Q8TDV5 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
NR1H2 P55055 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL15423572 0.88 MAPK1 (0.41) HSD17B10MAPK1CHRM2CHRM1CHRM3
SCHEMBL15423566 0.88 MAPK1 (0.41) HSD17B10MAPK1CHRM2CHRM1CHRM3
SCHEMBL3430499 0.85 PTPN1 (0.40) MAPK1CHRM2CHRM1CHRM3HSD11B1
SCHEMBL21561528 0.85 PTPN1 (0.40) MAPK1CHRM2CHRM1CHRM3HSD11B1
SCHEMBL3430523 0.85 PTPN1 (0.40) MAPK1CHRM2CHRM1CHRM3HSD11B1
SCHEMBL18094061 0.85 PTPN1 (0.40) MAPK1CHRM2CHRM1CHRM3HSD11B1
SCHEMBL28649152 0.81 HSD17B10 (0.36) HSD17B10TPSAB1TPSD1TPSG1CHRM2
SCHEMBL18771187 0.78 PTPN1 (0.45) MAPK1HSD11B1MEN1KMT2ANR1H2
SCHEMBL18771188 0.78 PTPN1 (0.45) MAPK1HSD11B1MEN1KMT2ANR1H2
SCHEMBL31066400 0.78 MAPK1 (0.39) HSD17B10MAPK1CHRM2CHRM1CHRM3

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-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

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 HSD17B10 2966/4885MAPK1 2575/4885TPSAB1 3154/4885

“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.