SCHEMBL1434486

SCHEMBL1434486

COC(=O)C1(C(=O)O)CC12CCCC2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 1/20 0.38
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
MAPT P10636 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP3A4 P08684 2/20 0.33
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 2/20 0.31
FFAR3 O14843 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL1434978 0.96 NPSR1 (0.38) NPSR1LMNACYP4F2CYP4A11MAPT
SCHEMBL1434947 0.92 LMNA (0.40) NPSR1LMNACYP4F2CYP4A11MEN1
SCHEMBL1435555 0.90 NPSR1 (0.47) NPSR1LMNACYP4F2CYP4A11MAPT
SCHEMBL1434977 0.85 NPSR1 (0.42) NPSR1LMNACYP4F2CYP4A11MAPT
SCHEMBL1435037 0.81 LMNA (0.44) NPSR1LMNACYP4F2CYP4A11MAPT
SCHEMBL16111377 0.78 NPSR1 (0.41) NPSR1LMNACYP4F2CYP4A11MAPT
Hydrochloric Acid SCHEMBL6360965 0.77 NPSR1 (0.37) NPSR1LMNACYP4F2CYP4A11MAPT
SCHEMBL28943256 0.76 NPSR1 (0.40) NPSR1LMNACYP4F2CYP4A11MAPT
SCHEMBL14035627 0.76 NPSR1 (0.35) NPSR1LMNACYP4F2CYP4A11MAPT
SCHEMBL27541216 0.74 MEN1 (0.40) NPSR1LMNAMEN1KMT2AFFAR3

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1684745-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-12-17 EP disclosed
EP-1684745-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-12-17 EP disclosed
EP-1684787-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-04-16 EP disclosed
EP-1684787-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-04-16 EP disclosed
EP-1506000-B9 HETEROCYCLICSULFONAMIDE HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-08-31 EP disclosed
EP-1506000-B9 HETEROCYCLICSULFONAMIDE HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-08-31 EP disclosed
EP-1506172-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-03-30 EP disclosed
EP-1506172-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-03-30 EP disclosed
EP-1506000-B1 HETEROCYCLICSULFONAMIDE HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2010-09-15 EP disclosed
EP-1506000-B1 HETEROCYCLICSULFONAMIDE HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2010-09-15 EP disclosed
EP-1506172-A2 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2005-02-16 EP disclosed
WO-2004043339-A2 SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-27 WO disclosed
WO-2004043339-A2 SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-27 WO disclosed
US-20040077551-A1 Substituted cycloalkyl P1' hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-04-22 US disclosed
WO-2004032827-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-22 WO disclosed
US-20040072761-A1 Heterocyclicsulfonamide hepatitis C virus inhibitors CAMPBELL JEFFREY ALLEN (US) 2004-04-15 US disclosed
US-20040048802-A1 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-03-11 US disclosed
WO-2003099316-A1 HETEROCYCLICSULFONAMIDE HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 WO disclosed
WO-2003099316-A1 HETEROCYCLICSULFONAMIDE HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 WO disclosed
US-20020111313-A1 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2002-08-15 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-20040072761-A1 Heterocyclicsulfonamide hepatitis C virus inhibitors HCCS, ANPEP, DNPEP NPSR1 508/4885LMNA 4281/4885CYP4F2 2912/4885
US-20020111313-A1 Hepatitis C virus inhibitors HAVCR2, ZC3HAV1, VIP NPSR1 1741/4885LMNA 3808/4885CYP4F2 2888/4885
US-20040048802-A1 Hepatitis C virus inhibitors HAVCR2, ZC3HAV1, VIP NPSR1 1741/4885LMNA 3808/4885CYP4F2 2888/4885
US-20040077551-A1 Substituted cycloalkyl P1' hepatitis C virus inhibitors HAVCR2, ANPEP, ENPEP NPSR1 1047/4885LMNA 3287/4885CYP4F2 3199/4885

“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.