SCHEMBL17896162

SCHEMBL17896162

C[C@H](OCc1ccccc1)[C@H](Oc1ccccc1)[C@H](CCO)Cc1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.41
PPARA Q07869 8/20 0.41
GPR34 Q9UPC5 3/20 0.38
TRPA1 O75762 1/20 0.36
RCE1 Q9Y256 1/20 0.36
KMT2A Q03164 1/20 0.34
MME P08473 1/20 0.34
ACE P12821 1/20 0.34
CPA1 P15085 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL21985739 1.00 PPARG (0.41) PPARGPPARAGPR34TRPA1RCE1
SCHEMBL17896224 0.89 PPARG (0.44) PPARGPPARARCE1KMT2AALDH1A1
SCHEMBL17896225 0.88 PPARG (0.38) PPARGPPARAGPR34RCE1KMT2A
SCHEMBL17904939 0.86 PPARA (0.39) PPARGPPARAGPR34TRPA1MME
SCHEMBL19758129 0.86 TRPA1 (0.44) PPARGPPARATRPA1MAPTALDH1A1
SCHEMBL19760187 0.86 TRPA1 (0.44) PPARGPPARATRPA1MAPTALDH1A1
SCHEMBL17898735 0.84 SLC6A2 (0.36) PPARGPPARAGPR34TRPA1RCE1
SCHEMBL17898733 0.78 RCE1 (0.40) TRPA1RCE1KMT2AMAPTTSHR
SCHEMBL17896201 0.78 PPARG (0.40) PPARGPPARAGPR34RCE1KMT2A
SCHEMBL17904953 0.76 PPARA (0.40) PPARGPPARAKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3240413-B1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2020-05-13 EP disclosed
EP-3240413-B1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2020-05-13 EP disclosed
US-10433555-B2 Picolinamide compounds with fungicidal activity DOW AGROSCIENCES LLC (US) 2019-10-08 US disclosed
US-10433555-B2 Picolinamide compounds with fungicidal activity DOW AGROSCIENCES LLC (US) 2019-10-08 US disclosed
US-20180000085-A1 USE OF PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY CORTEVA AGRISCIENCE LLC 2018-01-04 US disclosed
US-20180000075-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY CORTEVA AGRISCIENCE LLC 2018-01-04 US disclosed
EP-3240412-A1 USE OF PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY Dow Agrosciences LLC (US) 2017-11-08 EP disclosed
EP-3240413-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY Dow Agrosciences LLC (US) 2017-11-08 EP disclosed
WO-2016109288-A1 USE OF PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 WO disclosed
WO-2016109289-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 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 (3 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-20180000075-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY PFAS, CASP2, CYP1A2 PPARG 2183/4885PPARA 2695/4885GPR34 2993/4885
US-10433555-B2 Picolinamide compounds with fungicidal activity PFAS, CASP2, CYP1A2 PPARG 2183/4885PPARA 2695/4885GPR34 2993/4885
US-20180000085-A1 USE OF PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY PFAS, CYP1A2, CYP51A1 PPARG 2966/4885PPARA 3118/4885GPR34 3090/4885

“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.