SCHEMBL12334751

SCHEMBL12334751

CCC(F)(F)C(=O)N1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 3/20 0.39
GAA P10253 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
ATM Q13315 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
SCHEMBL12334765 0.98 L3MBTL1 (0.39) KMT2AMEN1L3MBTL1TDP1ALDH1A1
SCHEMBL12334758 0.80 HTT (0.47) L3MBTL1ALDH1A1HPGDTSHR
SCHEMBL12334749 0.80 FAAH (0.36) ALDH1A1HPGDGPR119
SCHEMBL12334768 0.80 CA2 (0.41) GAAHPGDGPR119
SCHEMBL12308678 0.79 MMP1 (0.36) KMT2AMEN1L3MBTL1TDP1ALDH1A1
SCHEMBL12335986 0.78 KMT2A (0.44) KMT2AMEN1L3MBTL1TDP1ALDH1A1
SCHEMBL12334752 0.78 SMN1; SMN2 (0.43) KMT2AMEN1ALDH1A1
SCHEMBL12334755 0.77 GNAI3 (0.45) GAAGPR119
SCHEMBL22603268 0.77 KMT2A (0.42) KMT2AMEN1L3MBTL1TDP1ALDH1A1
SCHEMBL3125351 0.77 RIPK1 (0.53) KMT2AMEN1L3MBTL1TDP1ALDH1A1

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 KMT2A 3092/4885MEN1 3816/4885L3MBTL1 2536/4885

“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.