SCHEMBL17403978

SCHEMBL17403978

C[C@@H](NP(=O)(Oc1ccccc1)Oc1ccc([N+](=O)[O-])cc1)C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BTN3A1 O00481 1/20 0.52
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ ELANE P08246 2/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ TP53 P04637 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ PRTN3 P24158 1/20 0.45
▸ ITGA4 P13612 1/20 0.44
▸ ITGB7 P26010 1/20 0.44
▸ GAA P10253 1/20 0.44

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
SCHEMBL18953048 1.00 BTN3A1 (0.52) BTN3A1NPC1RAB9AELANEHTR2A
SCHEMBL18973479 1.00 BTN3A1 (0.52) BTN3A1NPC1RAB9AELANEHTR2A
SCHEMBL26295789 0.91 NPC1 (0.48) BTN3A1NPC1RAB9AELANEHTR2A
SCHEMBL17550480 0.90 BTN3A1 (0.44) BTN3A1NPC1RAB9AELANEHTR2A
SCHEMBL12621314 0.89 NPC1 (0.46) BTN3A1NPC1RAB9AELANEHTR2A
SCHEMBL30089933 0.89 BTN3A1 (0.50) BTN3A1NPC1RAB9AALDH1A1TP53
SCHEMBL10149592 0.89 BTN3A1 (0.50) BTN3A1NPC1RAB9AALDH1A1TP53
SCHEMBL28854863 0.89 BTN3A1 (0.50) BTN3A1NPC1RAB9AALDH1A1TP53
SCHEMBL23818599 0.88 NPC1 (0.48) BTN3A1NPC1RAB9AHTR2AALDH1A1
SCHEMBL18973549 0.88 BTN3A1 (0.60) BTN3A1ELANEALDH1A1TP53MEN1

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-2852603-B1 D-AMINO ACID COMPOUNDS FOR LIVER DISEASE IDENIX PHARMACEUTICALS LLC (US) 2021-05-12 — — EP disclosed
US-10717758-B2 D-amino acid compounds for liver disease IDENIX PHARMACEUTICALS LLC (US) 2020-07-21 — — US disclosed
US-20170044205-A1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES NUCLEOTIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS, INC. 2017-02-16 — — US disclosed
US-20170044205-A1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES NUCLEOTIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS, INC. 2017-02-16 — — US disclosed
US-20160083413-A1 2'-CHLORO NUCLEOSIDE ANALOGS FOR HCV INFECTION IDENIX PHARMACEUTICALS LLC 2016-03-24 — — US disclosed
US-20160083413-A1 2'-CHLORO NUCLEOSIDE ANALOGS FOR HCV INFECTION IDENIX PHARMACEUTICALS LLC 2016-03-24 — — US disclosed
US-20160002281-A1 D-AMINO ACID COMPOUNDS FOR LIVER DISEASE UNIVERSITE DE MONTPELLIER (FR) 2016-01-07 — — 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 (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-10717758-B2 D-amino acid compounds for liver disease AADAT, BCAT1, BCAT2 BTN3A1 2388/4885NPC1 1482/4885RAB9A 1299/4885
US-20170044205-A1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES NUCLEOTIDES FOR THE TREATMENT OF HCV RB1, NSUN2, METTL3 BTN3A1 3272/4885NPC1 2493/4885RAB9A 1263/4885
US-20160083413-A1 2'-CHLORO NUCLEOSIDE ANALOGS FOR HCV INFECTION SLC28A2, SLC28A1, SLC29A2 BTN3A1 2261/4885NPC1 659/4885RAB9A 2246/4885
US-20160002281-A1 D-AMINO ACID COMPOUNDS FOR LIVER DISEASE AADAT, BCAT1, BCAT2 BTN3A1 2388/4885NPC1 1482/4885RAB9A 1299/4885

“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.

Send feedback