SCHEMBL15979042

SCHEMBL15979042

Cc1ccc(NC=C2C(=O)OC(C)(C)OC2=O)cn1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 16/20 0.64
TSHR P16473 1/20 0.64
HSD17B10 Q99714 3/20 0.53
MAPK1 P28482 1/20 0.53
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 1/20 0.52
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
CYP2C9 P11712 2/20 0.41
CRHBP P24387 1/20 0.39
HTT P42858 1/20 0.39
CRHR2 Q13324 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL797342 0.84 ALDH1A1 (0.62) ALDH1A1TSHRHSD17B10MAPK1CYP1A2
SCHEMBL29894730 0.84 ALDH1A1 (0.62) ALDH1A1TSHRHSD17B10MAPK1CYP1A2
SCHEMBL24423111 0.84 ALDH1A1 (0.71) ALDH1A1TSHRHSD17B10MAPK1CYP1A2
SCHEMBL29692810 0.82 ALDH1A1 (0.60) ALDH1A1TSHRHSD17B10MAPK1CYP1A2
SCHEMBL2206344 0.82 ALDH1A1 (0.60) ALDH1A1TSHRHSD17B10MAPK1CYP1A2
SCHEMBL30426206 0.82 ALDH1A1 (0.59) ALDH1A1TSHRHSD17B10MAPK1CYP1A2
SCHEMBL18526865 0.81 ALDH1A1 (0.67) ALDH1A1TSHRHSD17B10MAPK1CYP1A2
SCHEMBL12786989 0.80 ALDH1A1 (0.75) ALDH1A1TSHRHSD17B10MAPK1CYP1A2
SCHEMBL5739160 0.78 ALDH1A1 (1.00) ALDH1A1TSHRHSD17B10MAPK1CYP1A2
SCHEMBL15555582 0.76 ALDH1A1 (0.75) ALDH1A1TSHRHSD17B10MAPK1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243302-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORPORATION (US) 2014-08-28 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-20140243302-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS PAICS, SBDS, SORD ALDH1A1 802/4885TSHR 4681/4885HSD17B10 758/4885

“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.