SCHEMBL10285272

SCHEMBL10285272

CCC(C)(C)c1cccc2[nH]ncc12

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 2/20 0.62
▸ IDO1 P14902 3/20 0.50
▸ NOS1 P29475 4/20 0.49
▸ METAP2 P50579 1/20 0.45
▸ JAK2 O60674 1/20 0.43
▸ JAK1 P23458 1/20 0.43
▸ DHPS P49366 1/20 0.42
▸ TRPA1 O75762 2/20 0.40
▸ BRD4 O60885 1/20 0.39
▸ MET P08581 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ PIK3CA P42336 1/20 0.37

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
SCHEMBL2627058 0.84 AXL (0.68) AXLIDO1NOS1METAP2JAK2
SCHEMBL12683720 0.77 AXL (1.00) AXLIDO1NOS1METAP2JAK2
SCHEMBL20182527 0.76 AXL (0.50) AXLIDO1NOS1METAP2JAK2
SCHEMBL21938210 0.75 IDO1 (0.38) AXLIDO1NOS1METAP2TRPA1
SCHEMBL22430426 0.75 NOS1 (0.47) AXLIDO1NOS1TRPA1HSP90AA1
SCHEMBL6531155 0.74 AXL (0.55) AXLIDO1NOS1METAP2JAK2
SCHEMBL2633084 0.73 IDO1 (0.55) AXLIDO1NOS1METAP2JAK2
SCHEMBL26825623 0.73 AXL (0.43) AXLIDO1NOS1METAP2JAK2
SCHEMBL20259741 0.72 AXL (0.46) AXLIDO1NOS1METAP2JAK2
SCHEMBL21334557 0.72 IDO1 (0.50) AXLIDO1NOS1METAP2JAK2

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
US-20220211855-A1 THERAPEUTIC CONJUGATES TOTUS MEDICINES INC. 2022-07-07 — — US disclosed
US-20220127265-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2022-04-28 — — US disclosed
EP-2629771-B1 USE OF PI3K INHIBITORS FOR THE TREATMENT OF OBESITY, STEATOSIS AND AGEING FUNDACION CENTRO NAC DE INVESTIGACIONES ONCOLOGICAS CARLOS III (ES) 2018-08-08 — — EP disclosed
US-9993554-B2 Use of P13K Inhibitors for the Treatment of Obesity, Steatosis and ageing CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2018-06-12 — — 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 (2 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-20220211855-A1 THERAPEUTIC CONJUGATES CD47, CD44, EPCAM AXL 3112/4885IDO1 4317/4885NOS1 4722/4885
US-20220127265-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, CREBBP AXL 4614/4885IDO1 3724/4885NOS1 4351/4885

“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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