SCHEMBL7347312

SCHEMBL7347312

O=C(NC1(C(=O)O)CCCCC1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 7/20 0.38
FABP5 Q01469 6/20 0.38
ALDH1A1 P00352 1/20 0.36
CA2 P00918 1/20 0.34
FAAH O00519 2/20 0.33
TRPV1 Q8NER1 2/20 0.33
USP2 O75604 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.32
CTSL P07711 1/20 0.32
CNR1 P21554 3/20 0.32
CNR2 P34972 3/20 0.32
ERAP1 Q9NZ08 1/20 0.32

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
SCHEMBL4330469 0.98 FABP4 (0.39) FABP4FABP5ALDH1A1CA2FAAH
SCHEMBL30252249 0.94 FABP4 (0.36) FABP4FABP5ALDH1A1CA2SMN1; SMN2
SCHEMBL2722431 0.90 CA2 (0.39) FABP4FABP5ALDH1A1CA2SMN1; SMN2
SCHEMBL16409213 0.82 CTSL (0.34) ALDH1A1CA2SMN1; SMN2CTSL
SCHEMBL23794142 0.80 ALDH1A1 (0.36) FABP4FABP5ALDH1A1FAAHCYP1A2
SCHEMBL19388569 0.78 CTSS (0.33) CA2CTSL
SCHEMBL16391617 0.78 EPHX1 (0.36) ALDH1A1CA2SMN1; SMN2CTSL
SCHEMBL10808711 0.76 ALDH1A1 (0.40) FABP4FABP5ALDH1A1USP2HTT
SCHEMBL9947946 0.76 CA2 (0.34) ALDH1A1CA2SMN1; SMN2
SCHEMBL16391416 0.76 FABP4 (0.36) FABP4FABP5ALDH1A1FAAHTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3019196-B1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-06 EP disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-06-09 US disclosed
US-20150297568-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-10-22 US disclosed
US-20150023913-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2015-01-22 US disclosed
WO-2015005901-A1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-15 WO disclosed
EP-0552712-B1 8-(1-Aminocycloalkyl)-1,3-dialkylxanthine derivatives as antagonists adenosine receptors FOSCAMA BIOMED CHIM FARMA (IT) 1998-11-25 EP disclosed
US-5378844-A ADENOSINE ANTAGONIST BIOMEDICA FOSCAMA INDUSTRIA CHIMICO-FARMACEUTICA S.P.A. (IT) 1995-01-03 US disclosed
CN-1082047-A 8-(the amino cycloalkyl of 1-) 1,3-dialkyl xanthine derivative FOSCAMA BIOMED CHIM FARMA (IT) 1994-02-16 CN disclosed
EP-0552712-A1 8-(1-Aminocycloalkyl)-1,3-dialkylxanthine derivatives as antagonists adenosine receptors BIOMEDICA FOSCAMA INDUSTRIA CHIMICO-FARMACEUTICA S.P.A. (IT) 1993-07-28 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 (3 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-20150023913-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 FABP4 3471/4885FABP5 1171/4885ALDH1A1 3966/4885
US-20150297568-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 FABP4 3471/4885FABP5 1171/4885ALDH1A1 3966/4885
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS FABP4 3419/4885FABP5 1586/4885ALDH1A1 3872/4885

“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.