SCHEMBL17905017

SCHEMBL17905017

CC(C)C[C@@H](Oc1ccccc1)[C@H](C)OC(=O)[C@H](C)NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 1/20 0.43
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ REN P00797 3/20 0.39
▸ CTSK P43235 3/20 0.39
▸ CTSS P25774 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ PSEN1 P49768 2/20 0.39
▸ PSEN2 P49810 2/20 0.39
▸ APH1B Q8WW43 2/20 0.39
▸ NCSTN Q92542 2/20 0.39
▸ APH1A Q96BI3 2/20 0.39
▸ PSENEN Q9NZ42 2/20 0.39
▸ BTN3A1 O00481 1/20 0.39

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
SCHEMBL17901219 0.91 MMP13 (0.43) MMP13MEN1KMT2ANPSR1KDM4E
SCHEMBL17901222 0.91 MMP13 (0.43) MMP13MEN1KMT2ANPSR1KDM4E
SCHEMBL17901232 0.91 MMP13 (0.43) MMP13MEN1KMT2ANPSR1KDM4E
SCHEMBL17901221 0.91 MMP13 (0.43) MMP13MEN1KMT2ANPSR1KDM4E
SCHEMBL17905382 0.89 KDM4E (0.46) MMP13KDM4EGLAGAAMAPT
SCHEMBL17905387 0.89 GAA (0.41) KMT2ANPSR1KDM4EGLAGAA
SCHEMBL17905386 0.88 TSHR (0.44) MMP13NPSR1KDM4EGLAGAA
SCHEMBL17905396 0.88 CTSL (0.41) KMT2AKDM4EGLAGAAMAPT
SCHEMBL17906532 0.88 CTSK (0.43) MMP13KDM4EGLAGAAMAPT
SCHEMBL17905004 0.88 ATM (0.48) KMT2ACTSKCTSSATMPSEN1

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-2016109289-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 — — WO disclosed
WO-2016109288-A1 USE OF 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 MMP13 3395/4885MEN1 2200/4885KMT2A 3102/4885

“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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