SCHEMBL19862758

SCHEMBL19862758

CC(C)(C)N1C(=O)CC[C@@H]1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.44
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
P2RX7 Q99572 5/20 0.32
CES2 O00748 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGA5 P08648 1/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
PTGER3 P43115 1/20 0.30
PTGER2 P43116 1/20 0.30

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
SCHEMBL23636347 1.00 ACE (0.44) ACEPOLBLMNACYP2C19HSD17B10
SCHEMBL2083897 1.00 ACE (0.44) ACEPOLBLMNACYP2C19HSD17B10
SCHEMBL29564420 0.89 ACE (0.42) ACEPOLBLMNACYP2C19HSD17B10
SCHEMBL26761920 0.83 ACE (0.33) ACEPOLBP2RX7
SCHEMBL12108512 0.83 ACE (0.33) ACEPOLBP2RX7
SCHEMBL18554231 0.81 ACE (0.41) ACEP2RX7KMT2AMEN1
SCHEMBL7451633 0.79 KMT2A (0.37) ACEPOLBLMNACYP2C19HSD17B10
SCHEMBL7451628 0.79 KMT2A (0.37) ACEPOLBLMNACYP2C19HSD17B10
SCHEMBL3856468 0.75 ACE (0.38) ACEPOLBHSD17B10
SCHEMBL21945623 0.74 ACE (0.53) ACEPOLBLMNACYP2C19HSD17B10

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-20180044329-A1 3-SUBSTITUTED-1,2,4-OXADIAZOLE AND THIADIAZOLE COMPOUNDS AS IMMUNOMODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-02-15 US disclosed
US-20180044305-A1 3-SUBSTITUTED 1,3,4-OXADIAZOLE AND THIADIAZOLE COMPOUNDS AS IMMUNOMODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-02-15 US disclosed
US-20180044305-A1 3-SUBSTITUTED 1,3,4-OXADIAZOLE AND THIADIAZOLE COMPOUNDS AS IMMUNOMODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-02-15 US disclosed
US-20180044329-A1 3-SUBSTITUTED-1,2,4-OXADIAZOLE AND THIADIAZOLE COMPOUNDS AS IMMUNOMODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-02-15 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-20180044305-A1 3-SUBSTITUTED 1,3,4-OXADIAZOLE AND THIADIAZOLE COMPOUNDS AS IMMUNOMODULATORS PDCD1, CD274, PDCD1LG2 ACE 4153/4885POLB 3704/4885LMNA 4718/4885
US-20180044329-A1 3-SUBSTITUTED-1,2,4-OXADIAZOLE AND THIADIAZOLE COMPOUNDS AS IMMUNOMODULATORS PDCD1, CD274, PDCD1LG2 ACE 4132/4885POLB 3749/4885LMNA 4780/4885

“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.