Sugi Predict

Sugi Predict / Compounds / SCHEMBL2475879

SCHEMBL2475879

SCHEMBL2475879

O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2cccc(C(O)(C(F)(F)F)C(F)(F)F)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.53
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ KDM4E B2RXH2 4/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ GALR3 O60755 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ ALDH1A1 P00352 7/20 0.52
▸ LMNA P02545 2/20 0.52
▸ MAPT P10636 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ L3MBTL1 Q9Y468 3/20 0.50
▸ POLB P06746 1/20 0.50
▸ BLM P54132 1/20 0.49
▸ KDM1A O60341 1/20 0.48
▸ FAAH O00519 1/20 0.48
▸ MGLL Q99685 1/20 0.48
▸ HTT P42858 1/20 0.47

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
SCHEMBL1512405 0.95 SMN1; SMN2 (0.48) SIGMAR1SMN1; SMN2KDM4ENPC1GALR3
SCHEMBL2474230 0.85 SIGMAR1 (0.57) SIGMAR1SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL1512350 0.82 L3MBTL1 (0.62) SMN1; SMN2KDM4EALDH1A1LMNAL3MBTL1
SCHEMBL13626743 0.81 PRKAB2 (0.56) SIGMAR1SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL1512352 0.78 PRKAB2 (0.52) SIGMAR1KDM4EALDH1A1LMNAMAPT
SCHEMBL2472968 0.78 ALDH1A1 (0.63) SIGMAR1SMN1; SMN2KDM4ERAB9AALDH1A1
SCHEMBL12540343 0.78 ALDH1A1 (0.78) SMN1; SMN2KDM4ENPC1RAB9AALDH1A1
SCHEMBL1512242 0.78 ALDH1A1 (0.58) SMN1; SMN2KDM4ENPC1GALR3RAB9A
SCHEMBL1019016 0.77 SMN1; SMN2 (0.54) SMN1; SMN2KDM4ENPC1GALR3RAB9A
SCHEMBL2474532 0.77 UBE2M (0.53) SIGMAR1ALDH1A1POLBFAAH

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8357679-B2 Hexafluoroisopropanol derivatives MSD OSS B.V. (NL) 2013-01-22 — — US disclosed
US-8357679-B2 Hexafluoroisopropanol derivatives MSD OSS B.V. (NL) 2013-01-22 — — US disclosed
US-8357679-B2 Hexafluoroisopropanol derivatives MSD OSS B.V. (NL) 2013-01-22 — — US disclosed
EP-2297118-B1 N- (1, 1, 1, 3, 3, 3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL) BENZYL-N' -ARYLCARBONYLPIPERAZ INE DERIVATIVES AS LXR MODULATORS ORGANON NV (NL) 2011-10-05 — — EP disclosed
US-20100029621-A1 HEXAFLUOROISOPROPANOL DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2010-02-04 — — US disclosed
US-20100029621-A1 HEXAFLUOROISOPROPANOL DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2010-02-04 — — US disclosed
US-20100029621-A1 HEXAFLUOROISOPROPANOL DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2010-02-04 — — US disclosed
WO-2009138438-A1 N- (1, 1, 1, 3, 3, 3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL) BENZYL-N' -ARYLCARBONYLPIPERAZ INE DERIVATIVES N.V. ORGANON (NL) 2009-11-19 — — WO 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-20100029621-A1 HEXAFLUOROISOPROPANOL DERIVATIVES FFAR2, FFAR3, FFAR1 SIGMAR1 2072/4885SMN1; SMN2 3493/4885KDM4E 4389/4885

“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.