SCHEMBL3725050

SCHEMBL3725050

COC(=O)C1(CSC(C)=O)CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.34
P2RX7 Q99572 1/20 0.34
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CETP P11597 1/20 0.31

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
SCHEMBL13048725 0.91 CYP4F2 (0.43) CYP4F2CYP4A11NPSR1
SCHEMBL6730542 0.83 CYP3A4 (0.35) CYP4F2CYP4A11NPSR1CYP3A4CYP2C19
SCHEMBL8278858 0.81 CYP4F2 (0.50) CYP4F2CYP4A11NPSR1MEN1CYP3A4
SCHEMBL7435656 0.79 CYP2C19 (0.50) CYP2C19ALDH1A1CETP
SCHEMBL15572899 0.79 CYP4F2 (0.51) CYP4F2CYP4A11NPSR1MEN1CYP3A4
SCHEMBL7364717 0.79 CYP4F2 (0.38) CYP4F2CYP4A11
SCHEMBL6358085 0.79 CYP2D6 (0.42) MEN1CYP3A4KMT2ACYP2C19ALDH1A1
SCHEMBL6875644 0.77 CYP4F2 (0.46) CYP4F2CYP4A11NPSR1MEN1CYP3A4
SCHEMBL6735060 0.77 SMN1; SMN2 (0.38) MEN1KMT2AALDH1A1
SCHEMBL7365053 0.77 CYP2C19 (0.47) CYP4F2CYP4A11CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816326-B2 Sulfur compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2010-10-19 US disclosed
US-7816326-B2 Sulfur compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2010-10-19 US disclosed
US-7816326-B2 Sulfur compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2010-10-19 US disclosed
EP-2134739-A2 SULFUR COMPOUNDS AS INHIIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2009-12-23 EP disclosed
WO-2008124148-A2 SULFUR COMPOUNDS AS INHIIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2008-10-16 WO disclosed
US-20070197448-A1 SULFUR COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION 2007-08-23 US disclosed
US-20070197448-A1 SULFUR COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION 2007-08-23 US disclosed
US-20070197448-A1 SULFUR COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION 2007-08-23 US disclosed
US-20040266764-A1 Hydroxamic acid derivatives HANNAH DUNCAN ROBERT 2004-12-30 US disclosed
US-6809100-B2 2-(4-(4-FURAN-2-YLPHENYL)PIPERAZINE-1-SULFONYLMETHYL)-N-HYDROXY -3-METHYLBUTYRAMIDE, FOR EXAMPLE; TREATMENT OF CANCER, INFLAMMATION, OR AN AUTOIMMUNE, INFECTIOUS OR OCULAR DISEASE DARWIN DISCOVERY LTD. (GB) 2004-10-26 US disclosed
US-6787536-B2 A HYDROXAMIC ACID COMPOUND CONTAINING HETEROAROMATIC RING ATTACHED TO SULFONYL GROUP THROUGH NITROGEN ATOM, INHIBITOR OF MATRIX METALLOPRETEINASE, USEFUL FOR TREATING DEGENERATIVE DISEASES AND CERTAIN CANCER DARWIN DISCOVERY LIMITED (GB) 2004-09-07 US disclosed
US-20030216404-A1 Hydroxamic acid derivatives HANNAH DUNCAN ROBERT (GB) 2003-11-20 US disclosed
EP-1282614-B1 HYDROXAMIC ACID DERIVATIVES DARWIN DISCOVERY LTD (GB) 2003-11-12 EP disclosed
EP-1282614-A1 HYDROXAMIC ACID DERIVATIVES Darwin Discovery Limited (GB) 2003-02-12 EP disclosed
US-20020037900-A1 Hydroxamic acid derivatives DARWIN DISCOVERY LIMITED (GB) 2002-03-28 US disclosed
WO-2001087870-A1 HYDROXAMIC ACID DERIVATIVES DARWIN DISCOVERY LIMITED (GB) 2001-11-22 WO 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-20070197448-A1 SULFUR COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE PRSS1, PRSS3, HPN CYP4F2 3019/4885CYP4A11 2083/4885NPSR1 2761/4885
US-20020037900-A1 Hydroxamic acid derivatives ADAM17, ADAM10, ADAM33 CYP4F2 3956/4885CYP4A11 3358/4885NPSR1 3747/4885
US-20030216404-A1 Hydroxamic acid derivatives ADAM17, ADAM10, ADAM33 CYP4F2 3956/4885CYP4A11 3358/4885NPSR1 3747/4885
US-20040266764-A1 Hydroxamic acid derivatives ADAM17, ADAM10, ADAM33 CYP4F2 3956/4885CYP4A11 3358/4885NPSR1 3747/4885

“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.