SCHEMBL17901431

SCHEMBL17901431

C[C@H](N)C(=O)O[C@@H](C)[C@@H](COCc1ccccc1)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC1A1 P43005 1/20 0.46
▸ TACR1 P25103 3/20 0.43
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CTRB1 P17538 2/20 0.41
▸ MAOB P27338 1/20 0.40
▸ LTA4H P09960 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ ALPI P09923 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ XIAP P98170 1/20 0.40
▸ SLC7A5 Q01650 1/20 0.40

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
SCHEMBL17901429 0.93 PPARG (0.42) SLC1A1TACR1CA1CA2CA7
SCHEMBL17901642 0.87 ALPI (0.47) SLC1A1CTRB1MEN1KMT2AALPI
SCHEMBL17901386 0.87 TRPA1 (0.36) MAOBMEN1KMT2A
SCHEMBL17901648 0.86 ANPEP (0.41) CTRB1MEN1KMT2AALDH1A1ALPI
SCHEMBL17901392 0.84 LMNA (0.43) LTA4HMEN1KMT2AALDH1A1ALPI
Hydrochloric Acid SCHEMBL17892819 0.83 LMNA (0.42) LTA4HMEN1KMT2AALDH1A1ALPI
Hydrochloric Acid SCHEMBL17892911 0.83 LMNA (0.42) LTA4HMEN1KMT2AALDH1A1ALPI
Hydrochloric Acid SCHEMBL17892909 0.83 LMNA (0.42) LTA4HMEN1KMT2AALDH1A1ALPI
Hydrochloric Acid SCHEMBL17892908 0.83 LMNA (0.42) LTA4HMEN1KMT2AALDH1A1ALPI
Hydrochloric Acid SCHEMBL28617860 0.83 LMNA (0.42) LTA4HMEN1KMT2AALDH1A1ALPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3240408-B1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2020-04-08 — — EP disclosed
US-20190359557-A1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2019-11-28 — — US disclosed
US-10252989-B2 Picolinamides with fungicidal activity DOW AGROSCIENCES LLC (US) 2019-04-09 — — US disclosed
US-10173971-B2 Picolinamides with fungicidal activity DOW AGROSCIENCES LLC (US) 2019-01-08 — — US disclosed
US-20180037541-A1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY CORTEVA AGRISCIENCE LLC 2018-02-08 — — US disclosed
WO-2016109301-A1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 — — WO disclosed
WO-2016109300-A1 PICOLINAMIDES 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 (4 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-20180037541-A1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY CYP51A1, CYP1A2, FKBP14 SLC1A1 1686/4885TACR1 2986/4885CA1 2147/4885
US-20190359557-A1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY CYP51A1, CYP1A2, FKBP14 SLC1A1 1686/4885TACR1 2986/4885CA1 2147/4885
US-10173971-B2 Picolinamides with fungicidal activity CYP51A1, CYP1A2, FKBP14 SLC1A1 1686/4885TACR1 2986/4885CA1 2147/4885
US-10252989-B2 Picolinamides with fungicidal activity CYP51A1, CYP1A2, FKBP14 SLC1A1 1686/4885TACR1 2986/4885CA1 2147/4885

“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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