SCHEMBL17816171

SCHEMBL17816171

CC(F)c1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.70
PTGS1 P23219 4/20 0.70
PTGS2 P35354 4/20 0.70
ALDH1A1 P00352 4/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
LMNA P02545 3/20 0.70
CXCR1 P25024 2/20 0.70
CXCR2 P25025 2/20 0.70
CYP3A4 P08684 2/20 0.70
RECQL P46063 1/20 0.70
KDM4E B2RXH2 1/20 0.70
HPGD P15428 1/20 0.70
MAPK1 P28482 1/20 0.70
PMP22 Q01453 1/20 0.70
SLC22A6 Q4U2R8 1/20 0.70
HSD17B10 Q99714 1/20 0.70
CXCL8 P10145 1/20 0.70
THPO P40225 1/20 0.70
HIF1A Q16665 1/20 0.70
ATM Q13315 1/20 0.59

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
SCHEMBL764365 0.85 MAPT (0.74) MAPTPTGS1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL27595258 0.85 ANPEP (0.54) MAPTPTGS1PTGS2ALDH1A1SMN1; SMN2
Dexketoprofen SCHEMBL9062072 0.84 PTGS1 (0.97) MAPTPTGS1PTGS2ALDH1A1SMN1; SMN2
Dexketoprofen SCHEMBL9062060 0.84 PTGS1 (0.97) MAPTPTGS1PTGS2ALDH1A1SMN1; SMN2
Ketoprofen SCHEMBL9062078 0.84 PTGS1 (0.97) MAPTPTGS1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL13653040 0.84 PTGS1 (0.72) MAPTPTGS1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL19788333 0.84 PTGS1 (0.72) MAPTPTGS1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL4669024 0.84 PTGS1 (0.72) MAPTPTGS1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL31150150 0.84 PTGS1 (0.72) MAPTPTGS1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL29967256 0.83 ALDH1A1 (0.56) MAPTPTGS1PTGS2ALDH1A1SMN1; SMN2

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-10974235-B2 Targeted, metal-catalyzed fluorination of complex compounds with fluoride ion via decarboxylation TRUSTEES OF PRINCETON UNIVERSITY (US) 2021-04-13 US disclosed
US-10543481-B2 Targeted, metal-catalyzed fluorination of complex compounds with fluoride ion via decarboxylation TRUSTEES OF PRINCETON UNIVESITY (US) 2020-01-28 US disclosed
US-20180037526-A1 TARGETED, METAL-CATALYZED FLUORINATION OF COMPLEX COMPOUNDS WITH FLUORIDE ION VIA DECARBOXYLATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2018-02-08 US disclosed
US-20180037526-A1 TARGETED, METAL-CATALYZED FLUORINATION OF COMPLEX COMPOUNDS WITH FLUORIDE ION VIA DECARBOXYLATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2018-02-08 US disclosed
WO-2016130549-A1 TARGETED, METAL-CATALYZED FLUORINATION OF COMPLEX COMPOUNDS WITH FLUORIDE ION VIA DECARBOXYLATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2016-08-18 WO disclosed
US-20160158388-A1 TARGETED, METAL-CATALYZED FLUORINATION OF COMPLEX COMPOUNDS WITH FLUORIDE ION VIA DECARBOXYLATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2016-06-09 US disclosed
US-20160158388-A1 TARGETED, METAL-CATALYZED FLUORINATION OF COMPLEX COMPOUNDS WITH FLUORIDE ION VIA DECARBOXYLATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2016-06-09 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 (4 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-20160158388-A1 TARGETED, METAL-CATALYZED FLUORINATION OF COMPLEX COMPOUNDS WITH FLUORIDE ION VIA DECARBOXYLATION AFF2, CLTC, AFF4 MAPT 1505/4885PTGS1 4750/4885PTGS2 4446/4885
US-10543481-B2 Targeted, metal-catalyzed fluorination of complex compounds with fluoride ion via decarboxylation AFF2, CLTC, AFF4 MAPT 1505/4885PTGS1 4750/4885PTGS2 4446/4885
US-20180037526-A1 TARGETED, METAL-CATALYZED FLUORINATION OF COMPLEX COMPOUNDS WITH FLUORIDE ION VIA DECARBOXYLATION AFF2, CLTC, AFF4 MAPT 1505/4885PTGS1 4750/4885PTGS2 4446/4885
US-10974235-B2 Targeted, metal-catalyzed fluorination of complex compounds with fluoride ion via decarboxylation AFF2, CLTC, AFF4 MAPT 1505/4885PTGS1 4750/4885PTGS2 4446/4885

“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.