SCHEMBL20445761

SCHEMBL20445761

O=c1oc2cc(OS(=O)(=O)C(F)(F)F)ccc2cc1-c1nc2ccccc2s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.62
▸ PIK3CB P42338 1/20 0.62
▸ ALK Q9UM73 2/20 0.58
▸ HSD11B1 P28845 1/20 0.51
▸ NPC1 O15118 6/20 0.46
▸ RAB9A P51151 6/20 0.46
▸ KDM4E B2RXH2 5/20 0.46
▸ MAPT P10636 4/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ HPGD P15428 4/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ TP53 P04637 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ STS P08842 3/20 0.43
▸ POLB P06746 1/20 0.42
▸ APP P05067 1/20 0.41
▸ GLA P06280 3/20 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
SCHEMBL7898123 0.80 PIK3CD (0.66) PIK3CDPIK3CBALKNPC1KDM4E
SCHEMBL21761480 0.80 NPC1 (0.66) HSD11B1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL21133105 0.80 PIK3CD (0.65) PIK3CDPIK3CBALKNPC1RAB9A
SCHEMBL16312867 0.80 PIK3CD (0.65) PIK3CDPIK3CBALKNPC1RAB9A
SCHEMBL3172696 0.79 PIK3CD (0.67) PIK3CDPIK3CBALKNPC1RAB9A
SCHEMBL30165795 0.79 PIK3CD (0.74) PIK3CDPIK3CBALKNPC1RAB9A
SCHEMBL15065694 0.79 PIK3CD (0.74) PIK3CDPIK3CBALKNPC1RAB9A
SCHEMBL8393318 0.78 KDM4E (0.52) NPC1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL30674288 0.78 PIK3CD (0.71) PIK3CDPIK3CBALKNPC1RAB9A
SCHEMBL4586333 0.77 PIK3CD (0.74) PIK3CDPIK3CBALKNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3357928-B1 NOVEL DYES WITH PHOSPHINIC ACID, PHOSPHINATE, PHOSPHONATE AND PHOSPHONAMIDATE SUBSTITUENTS AS AUXOCHROMIC GROUPS AND METHODS FOR PREPARING THE SAME MAX PLANCK GESELLSCHAFT (DE) 2021-01-06 — — EP disclosed
EP-3357928-B1 NOVEL DYES WITH PHOSPHINIC ACID, PHOSPHINATE, PHOSPHONATE AND PHOSPHONAMIDATE SUBSTITUENTS AS AUXOCHROMIC GROUPS AND METHODS FOR PREPARING THE SAME MAX PLANCK GESELLSCHAFT (DE) 2021-01-06 — — EP disclosed
US-10174202-B2 Dyes with phosphinic acid, phosphinate, phosphonate and phosphonamidate substituents as auxochromic groups and methods for preparing the same MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E. V. (DE) 2019-01-08 — — US disclosed
US-10174202-B2 Dyes with phosphinic acid, phosphinate, phosphonate and phosphonamidate substituents as auxochromic groups and methods for preparing the same MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E. V. (DE) 2019-01-08 — — US disclosed
US-20180223102-A1 NOVEL DYES WITH PHOSPHINIC ACID, PHOSPHINATE, PHOSPHONATE AND PHOSPHONAMIDATE SUBSTITUENTS AS AUXOCHROMIC GROUPS AND METHODS FOR PREPARING THE SAME MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E. V. (DE) 2018-08-09 — — US disclosed
US-20180223102-A1 NOVEL DYES WITH PHOSPHINIC ACID, PHOSPHINATE, PHOSPHONATE AND PHOSPHONAMIDATE SUBSTITUENTS AS AUXOCHROMIC GROUPS AND METHODS FOR PREPARING THE SAME MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E. V. (DE) 2018-08-09 — — US disclosed
EP-3357928-A1 NOVEL DYES WITH PHOSPHINIC ACID, PHOSPHINATE, PHOSPHONATE AND PHOSPHONAMIDATE SUBSTITUENTS AS AUXOCHROMIC GROUPS AND METHODS FOR PREPARING THE SAME Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2018-08-08 — — EP disclosed
EP-3357928-A1 NOVEL DYES WITH PHOSPHINIC ACID, PHOSPHINATE, PHOSPHONATE AND PHOSPHONAMIDATE SUBSTITUENTS AS AUXOCHROMIC GROUPS AND METHODS FOR PREPARING THE SAME Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2018-08-08 — — EP 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-10174202-B2 Dyes with phosphinic acid, phosphinate, phosphonate and phosphonamidate substituents as auxochromic groups and methods for preparing the same OXSR1, RER1, CBR3 PIK3CD 2817/4885PIK3CB 2415/4885ALK 782/4885

“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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