SCHEMBL20682908

SCHEMBL20682908

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 4/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ MRGPRX4 Q96LA9 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TAS1R3 Q7RTX0 1/20 0.34
▸ TAS1R1 Q7RTX1 1/20 0.34
▸ CSNK2A1 P68400 2/20 0.34
▸ PPARG P37231 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 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
SCHEMBL17901053 1.00 RORC (0.36) RORCNPSR1CYP1A2GLACYP3A4
SCHEMBL20682931 0.88 HPGD (0.47) CYP1A2GLACYP3A4CYP2D6CYP2C9
SCHEMBL17901063 0.88 HPGD (0.47) CYP1A2GLACYP3A4CYP2D6CYP2C9
SCHEMBL17905560 0.82 RORC (0.35) RORCNPSR1CYP1A2CYP3A4CYP2D6
SCHEMBL17900665 0.80 TAS1R3 (0.40) RORCNPSR1HPGDMRGPRX4KDM4E
SCHEMBL17905522 0.79 NPSR1 (0.39) RORCNPSR1CYP1A2GLACYP3A4
SCHEMBL17900961 0.79 AAK1 (0.42) GLAHPGDALOX12KDM4ETAS1R3
SCHEMBL20682873 0.79 AAK1 (0.42) GLAHPGDALOX12KDM4ETAS1R3
SCHEMBL17905574 0.78 RORC (0.36) RORCNPSR1HPGDMRGPRX4KDM4E
SCHEMBL17905156 0.78 NPSR1 (0.39) RORCNPSR1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10188109-B2 Picolinamide compounds with fungicidal activity DOW AGROSCIENCES LLC (US) 2019-01-29 — — 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 (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-10188109-B2 Picolinamide compounds with fungicidal activity PFAS, CASP2, CYP1A2 RORC 1882/4885NPSR1 1979/4885CYP1A2 3/4885

“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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