SCHEMBL13719145

SCHEMBL13719145

CC(C)Cc1ccc(-c2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.41
▸ MAPT P10636 4/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ GAA P10253 2/20 0.40
▸ HPD P32754 1/20 0.40
▸ HPGD P15428 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ TXNRD1 Q16881 1/20 0.38
▸ TXNRD3 Q86VQ6 1/20 0.38
▸ TXNRD2 Q9NNW7 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ MASP2 O00187 1/20 0.37

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
SCHEMBL16316334 0.86 ALDH1A1 (0.43) MEN1KMT2APKMALDH1A1MAPT
SCHEMBL13719371 0.78 ALDH1A1 (0.46) MEN1KMT2APKMALDH1A1MAPT
SCHEMBL13718757 0.76 FTO (0.49) MEN1KMT2A
SCHEMBL10019202 0.75 MAPK1 (0.52) MEN1KMT2APKMALDH1A1MAPT
SCHEMBL5737262 0.75 MAPT (0.58) MEN1KMT2APKMALDH1A1MAPT
SCHEMBL13719369 0.71 CYP1A2 (0.54) ALDH1A1MAPK1GAAKDM4E
SCHEMBL12572955 0.70 ALDH1A1 (0.52) MEN1KMT2APKMALDH1A1MAPT
SCHEMBL8492249 0.70 GAA (0.46) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL13718749 0.70 SMN1; SMN2 (0.51) ALDH1A1MAPTGAAHPGDKDM4E
SCHEMBL4599648 0.69 ALDH1A1 (0.43) MEN1KMT2AALDH1A1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579479-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-25 — — US disclosed
US-7241780-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOLS-MYERS SQUIBB COMPANY (US) 2007-07-10 — — US disclosed
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method CHENG PETER T 2007-01-18 — — 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-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method GPR119, LIPC, ACACA MEN1 2369/4885KMT2A 700/4885PKM 1979/4885

“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.

Send feedback