SCHEMBL17901409

SCHEMBL17901409

CCC[C@@H](Cc1ccccc1)[C@H](C)OC(=O)[C@H](C)N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALPI P09923 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ XIAP P98170 1/20 0.41
▸ SLC7A5 Q01650 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SLC6A2 P23975 2/20 0.41
▸ TAAR1 Q96RJ0 2/20 0.41
▸ MAOA P21397 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ CYP2A6 P11509 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ CTRB1 P17538 3/20 0.41
▸ CTSK P43235 3/20 0.41
▸ CTSL P07711 1/20 0.41
▸ CTSB P07858 1/20 0.41

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
SCHEMBL17901642 0.90 ALPI (0.47) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL17901392 0.84 LMNA (0.43) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL21850323 0.83 TSHR (0.44) CTSKCTSLCTSBCTSHPOLB
Hydrochloric Acid SCHEMBL17892909 0.83 LMNA (0.42) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL28617860 0.83 LMNA (0.42) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL17892819 0.83 LMNA (0.42) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL28617863 0.83 LMNA (0.42) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL17892908 0.83 LMNA (0.42) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL17892911 0.83 LMNA (0.42) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL17901431 0.81 SLC1A1 (0.46) ALPIPKMPTGS1XIAPSLC7A5

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-2016109300-A1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 — — WO disclosed
WO-2016109301-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 ALPI 1083/4885PKM 2438/4885PTGS1 1540/4885
US-20190359557-A1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY CYP51A1, CYP1A2, FKBP14 ALPI 1083/4885PKM 2438/4885PTGS1 1540/4885
US-10173971-B2 Picolinamides with fungicidal activity CYP51A1, CYP1A2, FKBP14 ALPI 1083/4885PKM 2438/4885PTGS1 1540/4885
US-10252989-B2 Picolinamides with fungicidal activity CYP51A1, CYP1A2, FKBP14 ALPI 1083/4885PKM 2438/4885PTGS1 1540/4885

“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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