SCHEMBL19705743

SCHEMBL19705743

CCc1ncc(C(=O)NCCC(=O)O)cc1F

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ SIRT5 Q9NXA8 1/20 0.43
▸ ITGB3 P05106 1/20 0.42
▸ ITGA2B P08514 1/20 0.42
▸ POLB P06746 2/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.40
▸ GCG P01275 4/20 0.39
▸ EGLN2 Q96KS0 2/20 0.39
▸ EGLN1 Q9GZT9 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ GCGR P47871 3/20 0.38
▸ FOLH1 Q04609 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ FABP4 P15090 1/20 0.38

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
SCHEMBL19725183 0.86 EGLN1 (0.41) KDM4EALDH1A1HDAC6EGLN1CA1
SCHEMBL19705741 0.83 KDM4E (0.45) KDM4EALDH1A1HPGDSIRT5ITGB3
SCHEMBL19705941 0.82 GPBAR1 (0.43) KDM4E
SCHEMBL19698958 0.80 GCG (0.43) KDM4EALDH1A1HPGDSIRT5ITGB3
SCHEMBL15601898 0.79 SIRT5 (0.47) KDM4EALDH1A1HPGDSIRT5ITGB3
SCHEMBL3374192 0.78 RAB9A (0.44) KDM4EALDH1A1POLBMAPK1
SCHEMBL14910728 0.74 MAPK1 (0.44) KDM4EALDH1A1POLBCA1CA2
SCHEMBL19705742 0.74 GCGR (0.42) KDM4EALDH1A1POLBGCGGCGR
SCHEMBL15601803 0.73 FABP4 (0.47) ALDH1A1HPGDSIRT5POLBGCG
SCHEMBL24530392 0.70 CACNA1H (0.43) SIRT5POLBGCGCA1CA2

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-20170355685-A1 FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2017-12-14 — — 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-20170355685-A1 FXR (NR1H4) MODULATING COMPOUNDS NR1H4, NR1H2, NR1H3 KDM4E 3516/4885ALDH1A1 3805/4885HPGD 1226/4885

“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.

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