SCHEMBL17905231

SCHEMBL17905231

CCCOC[C@H](C)OC(=O)[C@H](C)N

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.45
▸ HTT P42858 1/20 0.37
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ FAAH O00519 1/20 0.33
▸ MAPT P10636 1/20 0.31
▸ USP2 O75604 2/20 0.31
▸ CHRNB2 P17787 1/20 0.31
▸ CHRNB4 P30926 1/20 0.31
▸ CHRNA3 P32297 1/20 0.31
▸ CHRNA4 P43681 1/20 0.31
▸ NOS3 P29474 1/20 0.30
▸ NOS1 P29475 1/20 0.30
▸ NOS2 P35228 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ ALOX15 P16050 1/20 0.30

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
SCHEMBL25003698 0.84 TDP1 (0.44) TDP1HSD17B10HTTCYP1A2CYP3A4
SCHEMBL17905222 0.81 TSHR (0.35) KDM4EALDH1A1
SCHEMBL30945793 0.81 TDP1 (0.50) TDP1HSD17B10HTTCYP1A2CYP3A4
SCHEMBL16553944 0.80 CHRNB2 (0.34) HSD17B10HTTCYP1A2CYP3A4CYP2C19
SCHEMBL22442289 0.80 TDP1 (0.53) TDP1HSD17B10HTTCYP1A2CYP3A4
SCHEMBL16553945 0.80 CHRNB2 (0.34) HSD17B10HTTCYP1A2CYP3A4CYP2C19
SCHEMBL16553947 0.80 CHRNB2 (0.34) HSD17B10HTTCYP1A2CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL16822799 0.79 GRIN2D (0.33) HSD17B10HTTMAPTCHRNB2CHRNB4
Hydrochloric Acid SCHEMBL16553840 0.79 GRIN2D (0.33) HSD17B10HTTMAPTCHRNB2CHRNB4
Hydrochloric Acid SCHEMBL16822797 0.79 GRIN2D (0.33) HSD17B10HTTMAPTCHRNB2CHRNB4

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 4 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
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 TDP1 1756/4885HSD17B10 940/4885HTT 3579/4885

“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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