SCHEMBL5043045

SCHEMBL5043045

COC(C(=O)NCc1ccc(C#N)cc1)c1ccc(-c2ccc(N(C)C)cc2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.38
PPARA Q07869 2/20 0.38
MMP2 P08253 2/20 0.38
MMP3 P08254 2/20 0.38
PKM P14618 1/20 0.38
HIF1A Q16665 1/20 0.37
KDM1A O60341 1/20 0.36
HDAC1 Q13547 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 1/20 0.36
USP2 O75604 1/20 0.36
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
AKR1C3 P42330 1/20 0.35
MCL1 Q07820 1/20 0.35
EPHX2 P34913 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
SCHEMBL5043050 1.00 CSF1R (0.38) CSF1RPPARAMMP2MMP3PKM
SCHEMBL5040847 0.89 PKM (0.47) PPARAMMP2MMP3PKMHIF1A
SCHEMBL5040855 0.89 PKM (0.47) PPARAMMP2MMP3PKMHIF1A
SCHEMBL5042138 0.89 POLB (0.48) PPARAMMP2MMP3HIF1AALDH1A1
SCHEMBL5042135 0.89 POLB (0.48) PPARAMMP2MMP3HIF1AALDH1A1
SCHEMBL5045219 0.88 GSK3B (0.41) PPARAMMP2MMP3PKMHIF1A
SCHEMBL5045223 0.88 GSK3B (0.41) PPARAMMP2MMP3PKMHIF1A
SCHEMBL5042308 0.84 DGAT2 (0.44) PKMHIF1AMAPTMEN1KMT2A
SCHEMBL5042310 0.84 DGAT2 (0.44) PKMHIF1AMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL5038359 0.83 F7 (0.46) ALDH1A1KDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567498-B1 MANDELIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-23 EP disclosed
US-7129238-B2 Mandelic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2006-10-31 US disclosed
EP-1567498-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-08-31 EP disclosed
US-20040122057-A1 Novel mandelic acid derivatives HOFFMANN-LA ROCHE INC. 2004-06-24 US disclosed
WO-2004048335-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-06-10 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-20040122057-A1 Novel mandelic acid derivatives F7, F11, F9 CSF1R 855/4885PPARA 4124/4885MMP2 334/4885

“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.