SCHEMBL329900

SCHEMBL329900

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 4/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 1/20 0.31
CPB2 Q96IY4 1/20 0.31
CTSL P07711 1/20 0.31
HCRTR2 O43614 1/20 0.30
CACNA1H O95180 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
SCHEMBL329899 1.00 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1KMT2AMEN1TSHR
SCHEMBL2052402 1.00 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1KMT2AMEN1TSHR
SCHEMBL4299028 1.00 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1KMT2AMEN1TSHR
SCHEMBL3725588 1.00 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1KMT2AMEN1TSHR
SCHEMBL12468506 1.00 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1KMT2AMEN1TSHR
SCHEMBL1537604 1.00 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1KMT2AMEN1TSHR
SCHEMBL13817962 1.00 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1KMT2AMEN1TSHR
SCHEMBL5036319 1.00 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1KMT2AMEN1TSHR
Hydrochloric Acid SCHEMBL7644054 0.99 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1KMT2AMEN1TSHR
Hydrochloric Acid SCHEMBL1536344 0.99 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1KMT2AMEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2496556-B1 ACYLAMINO-SUBSTITUTED CYCLIC CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2018-12-26 EP disclosed
US-9636375-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-02 US disclosed
US-9636375-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-02 US disclosed
EP-2813500-B1 Intermediates for the preparation of hepatitis C virus inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-08-17 EP disclosed
EP-2813500-B1 Intermediates for the preparation of hepatitis C virus inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-08-17 EP disclosed
EP-2225249-B1 PROCESS FOR THE PREPARATION OF A MACROCYCLE HOFFMANN LA ROCHE (CH) 2016-08-03 EP disclosed
EP-2225249-B1 PROCESS FOR THE PREPARATION OF A MACROCYCLE HOFFMANN LA ROCHE (CH) 2016-08-03 EP disclosed
EP-2477980-B1 HCV PROTEASE INHIBITORS TAIGEN BIOTECHNOLOGY CO LTD (TW) 2016-06-08 EP disclosed
US-9321809-B2 Macrocyclic compounds for suppressing replication of hepatitis C virus GINKGO PHARAMA CO., LTD. (CN) 2016-04-26 US disclosed
US-20160067302-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-03-10 US disclosed
WO-2005054430-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-16 WO disclosed
WO-2005046712-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-05-26 WO disclosed
US-20050090432-A1 Macrocyclic isoquinoline peptide inhibitors of Hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY 2005-04-28 US disclosed
EP-1505963-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2005-02-16 EP disclosed
WO-2004094452-A2 MACROCYCLIC ISOQUINOLINE PEPTIDE INHIBITORS OF HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-04 WO disclosed
US-20040106559-A1 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-06-03 US disclosed
WO-2004043339-A2 SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-27 WO disclosed
WO-2003099316-A1 HETEROCYCLICSULFONAMIDE HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 WO disclosed
WO-2003099274-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 WO disclosed
WO-2003099274-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 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 (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-20160067302-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 SMN1; SMN2 4765/4885ALDH1A1 769/4885KMT2A 4052/4885
US-20050090432-A1 Macrocyclic isoquinoline peptide inhibitors of Hepatitis C virus VIP, QPCT, HCCS SMN1; SMN2 4669/4885ALDH1A1 4253/4885KMT2A 4284/4885
US-20040106559-A1 Hepatitis C virus inhibitors HAVCR2, HCCS, RNASE1 SMN1; SMN2 4722/4885ALDH1A1 512/4885KMT2A 4220/4885

“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.