SCHEMBL12334752

SCHEMBL12334752

CCC(F)(F)C(=O)N1CCCC(C(=O)O)C1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 2/20 0.40
LMNA P02545 2/20 0.40
GRM3 Q14832 1/20 0.38
CREBBP Q92793 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL12308700 0.85 XPNPEP2 (0.40) SMN1; SMN2ALDH1A1MAPK1GRM3CREBBP
SCHEMBL12335980 0.84 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1MAPK1LMNAGRM3
SCHEMBL12334769 0.81 LMNA (0.47) SMN1; SMN2ALDH1A1LMNA
SCHEMBL11922963 0.79 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1MAPK1LMNAGRM3
SCHEMBL28447168 0.79 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1MAPK1LMNAGRM3
SCHEMBL12334751 0.78 KMT2A (0.41) ALDH1A1MEN1KMT2A
SCHEMBL12308794 0.77 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1MAPK1LMNAGRM3
SCHEMBL12334765 0.76 L3MBTL1 (0.39) ALDH1A1MEN1KMT2A
SCHEMBL12182476 0.76 MEN1 (0.58) SMN1; SMN2ALDH1A1MAPK1LMNACREBBP
SCHEMBL12334750 0.74 GNAI3 (0.41)

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 SMN1; SMN2 4090/4885ALDH1A1 203/4885MAPK1 2476/4885

“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.