SCHEMBL8434138

SCHEMBL8434138

C=C[C@@H]1C[C@]1(C)C(=O)OC

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.35
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PAX8 Q06710 1/20 0.31
ATM Q13315 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
SCHEMBL11976380 1.00 CYP3A4 (0.35) CYP3A4TSHRALDH1A1LMNAPOLB
SCHEMBL15483710 1.00 CYP3A4 (0.35) CYP3A4TSHRALDH1A1LMNAPOLB
SCHEMBL3281207 1.00 CYP3A4 (0.35) CYP3A4TSHRALDH1A1LMNAPOLB
SCHEMBL27870598 0.82
SCHEMBL16843474 0.82 CYP3A4 (0.33) CYP3A4TSHRALDH1A1LMNAPOLB
SCHEMBL10941440 0.82 CYP3A4 (0.33) CYP3A4TSHRALDH1A1LMNAPOLB
SCHEMBL9611225 0.79 ALDH1A1 (0.36) ALDH1A1LMNAPOLBNPSR1ATM
SCHEMBL12164497 0.79 ALDH1A1 (0.36) ALDH1A1LMNAPOLBNPSR1ATM
SCHEMBL3429780 0.79 ALDH1A1 (0.36) ALDH1A1LMNAPOLBNPSR1ATM
SCHEMBL11976293 0.79 ALDH1A1 (0.36) ALDH1A1LMNAPOLBNPSR1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203061-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES, INC. 2023-06-29 US disclosed
US-10030033-B2 Synthesis of an antiviral compound GILEAD SCIENCES, INC. (US) 2018-07-24 US disclosed
US-9862728-B2 Crystalline forms of an antiviral compound GILEAD SCIENCES, INC. (US) 2018-01-09 US disclosed
US-20170290827-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2017-10-12 US disclosed
US-20170267694-A1 CRYSTALLINE FORMS OF AN ANTIVIRAL COMPOUND GILEAD PHARMASSET LLC 2017-09-21 US disclosed
US-20170210756-A1 SYNTHESIS OF AN ANTIVIRAL COMPOUND GILEAD SCIENCES, INC. 2017-07-27 US disclosed
US-9655944-B2 Inhibitors of hepatitis C virus GILEAD SCIENCES, INC. (US) 2017-05-23 US disclosed
US-9617310-B2 Inhibitors of hepatitis C virus GILEAD SCIENCES, INC. (US) 2017-04-11 US disclosed
US-9562058-B2 Crystalline forms of an antiviral compound GILEAD SCIENCES, INC. (US) 2017-02-07 US disclosed
US-20160361375-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2016-12-15 US disclosed
US-20120034187-A1 Hepatitis C Inhibitor Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-09 US disclosed
US-8067438-B2 Hepatitis C inhibitor compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-29 US disclosed
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-28 US disclosed
US-20110177030-A1 Hepatitis C Inhibitor Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-21 US disclosed
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 US disclosed
US-7964624-B1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-21 US disclosed
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 US disclosed
US-7705146-B2 Hepatitis C inhibitor peptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-27 US disclosed
US-20040229818-A1 Hepatitis C inhibitor compound BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-11-18 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 (13 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-20170210756-A1 SYNTHESIS OF AN ANTIVIRAL COMPOUND EIF2AK2, MAVS, SARS1 CYP3A4 652/4885TSHR 4561/4885ALDH1A1 2528/4885
US-20040229818-A1 Hepatitis C inhibitor compound HAVCR2, GTF3C1, RNASE1 CYP3A4 520/4885TSHR 3799/4885ALDH1A1 652/4885
US-20230203061-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE ZYX, CCNY, XDH CYP3A4 52/4885TSHR 3806/4885ALDH1A1 1782/4885
US-20170290827-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 CYP3A4 75/4885TSHR 4413/4885ALDH1A1 112/4885
US-10030033-B2 Synthesis of an antiviral compound EIF2AK2, MAVS, SARS1 CYP3A4 652/4885TSHR 4561/4885ALDH1A1 2528/4885
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 CYP3A4 219/4885TSHR 4684/4885ALDH1A1 1374/4885
US-20160361375-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 CYP3A4 75/4885TSHR 4413/4885ALDH1A1 112/4885
US-20120034187-A1 Hepatitis C Inhibitor Compounds HAVCR2, CTRL, CTRC CYP3A4 201/4885TSHR 2825/4885ALDH1A1 319/4885
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 CYP3A4 353/4885TSHR 4260/4885ALDH1A1 1913/4885
US-20170267694-A1 CRYSTALLINE FORMS OF AN ANTIVIRAL COMPOUND HAVCR2, IFNAR1, ZC3HAV1 CYP3A4 455/4885TSHR 532/4885ALDH1A1 2488/4885
US-20110177030-A1 Hepatitis C Inhibitor Compounds HAVCR2, CTRL, CTRC CYP3A4 201/4885TSHR 2825/4885ALDH1A1 319/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 CYP3A4 353/4885TSHR 4260/4885ALDH1A1 1913/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 CYP3A4 158/4885TSHR 4770/4885ALDH1A1 1255/4885

“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.