SCHEMBL4122475

SCHEMBL4122475

NNC(F)(F)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
ALDH1A1 P00352 3/20 0.50
KCNN4 O15554 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA5A P35218 1/20 0.43
CA9 Q16790 1/20 0.43
PTPN1 P18031 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP3A4 P08684 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
LMNA P02545 1/20 0.38
CYP2D6 P10635 1/20 0.38
IDO1 P14902 1/20 0.38
PTGS2 P35354 1/20 0.38
KIF11 P52732 3/20 0.37
L3MBTL1 Q9Y468 2/20 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
SCHEMBL6399480 0.76 TSHR (0.52) TSHRALDH1A1KCNN4CA1CA2
SCHEMBL22200647 0.74 TSHR (0.50) TSHRALDH1A1KCNN4CA1CA2
SCHEMBL3879900 0.74 KCNN4 (0.56) TSHRALDH1A1KCNN4CA1CA2
SCHEMBL3228004 0.72 KCNN4 (0.55) TSHRALDH1A1KCNN4CA1CA2
SCHEMBL10876233 0.72 ALDH1A1 (0.48) TSHRALDH1A1KCNN4CA1CA2
SCHEMBL1977278 0.70 KCNN4 (0.52) TSHRALDH1A1KCNN4CA1CA2
Hydrochloric Acid SCHEMBL2268778 0.70 KCNN4 (0.52) TSHRALDH1A1KCNN4CA1CA2
SCHEMBL22494164 0.70 ALDH1A1 (0.41) TSHRALDH1A1KCNN4CA1CA2
Trifluoromethylbenzene SCHEMBL28143223 0.69 TSHR (0.88) TSHRALDH1A1KCNN4CA1CA2
SCHEMBL2158961 0.69 KCNN4 (0.58) TSHRALDH1A1KCNN4CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062358-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS CANO IVAN COLLADO 2009-03-05 US disclosed
EP-1335908-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS LILLY CO ELI (US) 2008-02-13 EP disclosed
US-7304062-B2 Peroxisome proliferator activated receptor alpha agonists ELI LILLY AND COMPANY (US) 2007-12-04 US disclosed
US-20040102500-A1 Peroxisome proliferator activated receptor alpha agonists CANO IVAN COLLADO (ES) 2004-05-27 US disclosed
CN-1479728-A Peroxisome proliferator activated receptor alpha agonists 2004-03-03 CN disclosed
EP-1335908-A2 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS ELI LILLY AND COMPANY (US) 2003-08-20 EP disclosed
WO-2002038553-A2 TRIAZOLE DERIVATIVES AND THEIR USE AS PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS ELI LILLY AND COMPANY (US) 2002-05-16 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 (2 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-20040102500-A1 Peroxisome proliferator activated receptor alpha agonists PPARG, PPARA, PPARD TSHR 115/4885ALDH1A1 815/4885KCNN4 2345/4885
US-20090062358-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS PPARG, PPARA, PPARD TSHR 150/4885ALDH1A1 1335/4885KCNN4 2384/4885

“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.