SCHEMBL16028452

SCHEMBL16028452

O=C(Nc1ccc(F)c(C(=O)O)c1)c1ccco1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 0.74
▸ ALDH1A1 P00352 1/20 0.74
▸ SIRT6 Q8N6T7 3/20 0.65
▸ MEN1 O00255 3/20 0.62
▸ KMT2A Q03164 3/20 0.62
▸ SIRT3 Q9NTG7 1/20 0.62
▸ NPC1 O15118 6/20 0.58
▸ SMN1; SMN2 Q16637 4/20 0.58
▸ TP53 P04637 3/20 0.58
▸ PKM P14618 2/20 0.58
▸ CASP3 P42574 1/20 0.58
▸ SENP8 Q96LD8 1/20 0.58
▸ SENP7 Q9BQF6 1/20 0.58
▸ SENP6 Q9GZR1 1/20 0.58
▸ PTPN2 P17706 1/20 0.57
▸ PTPN1 P18031 1/20 0.57
▸ PTPN6 P29350 1/20 0.57
▸ PTPN11 Q06124 1/20 0.57
▸ MAPT P10636 2/20 0.57
▸ GFER P55789 1/20 0.57

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
SCHEMBL16028728 0.83 RAB9A (0.74) RAB9AALDH1A1SIRT6MEN1KMT2A
SCHEMBL16179518 0.79 SIRT6 (1.00) RAB9AALDH1A1SIRT6MEN1KMT2A
SCHEMBL20522825 0.78 NPC1 (0.73) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL1455278 0.77 RAB9A (0.69) RAB9AALDH1A1MEN1KMT2ANPC1
SCHEMBL6633899 0.77 PTPN2 (0.75) RAB9AALDH1A1MEN1KMT2ANPC1
SCHEMBL16179714 0.77 MEN1 (1.00) RAB9AALDH1A1SIRT6MEN1KMT2A
SCHEMBL29564094 0.77 MEN1 (1.00) RAB9AALDH1A1SIRT6MEN1KMT2A
SCHEMBL23011774 0.77 ALDH1A1 (0.84) RAB9AALDH1A1MEN1KMT2ANPC1
SCHEMBL6632563 0.77 RAB9A (0.68) RAB9AALDH1A1MEN1KMT2ANPC1
SCHEMBL16179844 0.76 SIRT6 (1.00) RAB9AALDH1A1SIRT6MEN1KMT2A

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
US-9233961-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2016-01-12 — — US disclosed
US-9233961-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2016-01-12 — — US disclosed
US-9233961-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2016-01-12 — — US disclosed
WO-2014151630-A2 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2014-09-25 — — WO disclosed
WO-2014151630-A2 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2014-09-25 — — WO disclosed
US-20140275013-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2014-09-18 — — US disclosed
US-20140275013-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2014-09-18 — — US disclosed
US-20140275013-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2014-09-18 — — 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 (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-20140275013-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES TYR, TBCA, MAPT RAB9A 1346/4885ALDH1A1 816/4885SIRT6 2837/4885

“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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