SCHEMBL21883706

SCHEMBL21883706

CCc1cc(F)cc(C#N)c1OCOC

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.36
HPGD P15428 3/20 0.35
XDH P47989 1/20 0.34
SLC22A12 Q96S37 2/20 0.33
IDH1 O75874 1/20 0.32
AR P10275 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HSD17B10 Q99714 2/20 0.31
CYP1A2 P05177 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL19779524 0.81 XDH (0.33) HPGDXDHARALDH1A1HSD17B10
SCHEMBL19768957 0.78 XDH (0.32) XDHAR
SCHEMBL19879506 0.78 NAMPT (0.34) HPGDXDHAR
SCHEMBL23492895 0.77 NR3C1 (0.31) HPGDXDH
SCHEMBL23492897 0.75 XDH (0.30) XDH
SCHEMBL21884012 0.75 TSHR (0.38) HPGDXDHARALDH1A1TSHR
SCHEMBL19880391 0.70 GABRA1 (0.33) SLC22A12ARALDH1A1HSD17B10CYP1A2
SCHEMBL29940793 0.70 XDH (0.51) HPGDXDHSLC22A12ARALDH1A1
SCHEMBL28867665 0.70 XDH (0.51) HPGDXDHSLC22A12ARALDH1A1
SCHEMBL21547599 0.68 PTGS2 (0.46) KDM4E

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-10597377-B2 Somatostatin modulators and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2020-03-24 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-10597377-B2 Somatostatin modulators and uses thereof SSTR5, SSTR2, SSTR4 MGLL 1153/4885HPGD 1517/4885XDH 2982/4885

“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.