SCHEMBL12335984

SCHEMBL12335984

CCC(F)(F)C(=O)NC1CCNC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.44
▸ EPHX1 P07099 3/20 0.39
▸ SSTR4 P31391 8/20 0.39
▸ SSTR1 P30872 6/20 0.39
▸ PDK1 Q15118 1/20 0.38
▸ PDK2 Q15119 1/20 0.38
▸ PDK3 Q15120 1/20 0.38
▸ PDK4 Q16654 1/20 0.38
▸ GNAI3 P08754 1/20 0.38
▸ GNAO1 P09471 1/20 0.38
▸ GNAI1 P63096 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ ACSS2 Q9NR19 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KDM1A O60341 1/20 0.36
▸ HRH4 Q9H3N8 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ PKM P14618 1/20 0.35

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
SCHEMBL12334950 0.83 KCNH2 (0.47) KCNH2EPHX1SSTR4SSTR1PDK1
SCHEMBL12308685 0.83 KCNH2 (0.38) KCNH2EPHX1SSTR4SSTR1PDK1
SCHEMBL3402629 0.81 EPHX1 (0.45) KCNH2EPHX1SSTR4SSTR1PDK1
SCHEMBL3405244 0.81 EPHX1 (0.45) KCNH2EPHX1SSTR4SSTR1PDK1
SCHEMBL1029383 0.81 EPHX1 (0.45) KCNH2EPHX1SSTR4SSTR1PDK1
Hydrochloric Acid SCHEMBL1878764 0.80 EPHX1 (0.44) KCNH2EPHX1SSTR4SSTR1PDK1
Hydrochloric Acid SCHEMBL1027224 0.80 EPHX1 (0.44) KCNH2EPHX1SSTR4SSTR1PDK1
Hydrochloric Acid SCHEMBL1873541 0.80 EPHX1 (0.44) KCNH2EPHX1SSTR4SSTR1PDK1
SCHEMBL382773 0.78 EPHX1 (0.45) KCNH2EPHX1SSTR4SSTR1PDK1
SCHEMBL5873642 0.78 EPHX1 (0.45) KCNH2EPHX1SSTR4SSTR1PDK1

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-8017638-B2 Isoxazole derivative and isothiazole derivative having inhibitory activity on 11β-hydroxysteroid dehydrogenase type 1 SHIONOGI & CO., LTD. (JP) 2011-09-13 — — US disclosed
US-20090131491-A1 ISOXAZOLE DERIVATIVE AND ISOTHIAZOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON 11(beta)-HYDROXYSTEROID DEHYDROGENASE TYPE I SHIONOGI & CO., LTD. (JP) 2009-05-21 — — 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-20090131491-A1 ISOXAZOLE DERIVATIVE AND ISOTHIAZOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON 11(beta)-HYDROXYSTEROID DEHYDROGENASE TYPE I HSD3B1, NR5A1, HSD11B1 KCNH2 1745/4885EPHX1 1338/4885SSTR4 2250/4885

“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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