SCHEMBL17905522

SCHEMBL17905522

Cc1ccc(O[C@H](CC(C)C)[C@H](C)OC(=O)[C@H](C)N)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.39
▸ RORC P51449 4/20 0.37
▸ CYP3A4 P08684 2/20 0.36
▸ AAK1 Q2M2I8 2/20 0.36
▸ MRGPRX4 Q96LA9 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ OPRL1 P41146 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ CSNK2A1 P68400 2/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.34
▸ TAS1R1 Q7RTX1 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ PPARG P37231 1/20 0.34

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
SCHEMBL17905156 0.87 NPSR1 (0.39) NPSR1RORCMRGPRX4SMN1; SMN2OPRM1
SCHEMBL17905384 0.80 AAK1 (0.49) AAK1KDM4EHPGDALOX12
SCHEMBL17905560 0.80 RORC (0.35) NPSR1RORCCYP3A4MRGPRX4SMN1; SMN2
SCHEMBL17900665 0.80 TAS1R3 (0.40) NPSR1RORCMRGPRX4SMN1; SMN2KDM4E
SCHEMBL17901053 0.79 RORC (0.36) NPSR1RORCCYP3A4MRGPRX4SMN1; SMN2
SCHEMBL20682908 0.79 RORC (0.36) NPSR1RORCCYP3A4MRGPRX4SMN1; SMN2
SCHEMBL17905574 0.78 RORC (0.36) NPSR1RORCMRGPRX4SMN1; SMN2OPRM1
SCHEMBL17900631 0.78 RORC (0.43) RORCMRGPRX4OPRM1OPRL1KDM4E
SCHEMBL17905531 0.78 ACACB (0.37) AAK1SMN1; SMN2TAS1R3TAS1R1
SCHEMBL17900560 0.77 TAS1R3 (0.38) NPSR1MRGPRX4TAS1R3TAS1R1CYP2C9

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-10433555-B2 Picolinamide compounds with fungicidal activity DOW AGROSCIENCES LLC (US) 2019-10-08 — — US 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 (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-10433555-B2 Picolinamide compounds with fungicidal activity PFAS, CASP2, CYP1A2 NPSR1 1979/4885RORC 1882/4885CYP3A4 101/4885

“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.

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