SCHEMBL754070

SCHEMBL754070

COC[C@H](NC(=O)OC)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.42
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CACNA1C Q13936 1/20 0.39
SCN9A Q15858 1/20 0.39
CA9 Q16790 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
MME P08473 1/20 0.39
ACE P12821 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL1293468 1.00 TGFBR1 (0.42) TGFBR1CA12CA1CA2CA3
SCHEMBL14971060 0.84 TGFBR1 (0.44) TGFBR1CA12CA1CA2CA3
SCHEMBL12993100 0.84 CAPN1 (0.40) TGFBR1CA12CA1CA2CA3
SCHEMBL27693754 0.84 SMN1; SMN2 (0.39) TGFBR1CA12CA1CA2CA3
SCHEMBL524873 0.83 FOLH1 (0.41) TGFBR1KDM4EMAPTTHRBALOX15
SCHEMBL14479480 0.83 FOLH1 (0.41) TGFBR1KDM4EMAPTTHRBALOX15
SCHEMBL205554 0.83 FOLH1 (0.41) TGFBR1KDM4EMAPTTHRBALOX15
SCHEMBL580779 0.83 PPARA (0.53) CA1CA2CA7ACEPPARA
SCHEMBL588912 0.83 PPARA (0.53) CA1CA2CA7ACEPPARA
SCHEMBL2236885 0.83 SMN1; SMN2 (0.49) MMEACESMN1; SMN2FOLH1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10800789-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2020-10-13 US disclosed
US-10800789-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2020-10-13 US disclosed
US-20190337960-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2019-11-07 US disclosed
EP-3239153-B1 9-(1H-IMIDAZOL-5-YL)-1,11-DIHYDROISOCHROMENO[4',3':6,7]NAPHTHO[1,2-D]IMIDAZOLE DERIVATIVES AND THEIR USE AS INHIBITORS OF HCV NS5A GILEAD PHARMASSET LLC (US) 2019-05-08 EP disclosed
EP-2499127-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-09-05 EP disclosed
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-20170342085-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-11-30 US disclosed
US-20170342085-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-11-30 US disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 US disclosed
WO-2008144380-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-27 WO disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 US disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 US disclosed
WO-2008021936-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
WO-2008021928-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
WO-2008021927-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
US-20080044379-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
US-20080044379-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
US-20080044380-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
US-20080044380-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 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 (8 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-20170355689-A1 HEPATITIS C VIRUS INHIBITOR HAVCR2, LIPC, PYGL TGFBR1 4572/4885CA12 3444/4885CA1 4459/4885
US-20170342085-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 TGFBR1 4633/4885CA12 4026/4885CA1 4709/4885
US-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS TGFBR1 4489/4885CA12 3169/4885CA1 4434/4885
US-20080044379-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS TGFBR1 4489/4885CA12 3169/4885CA1 4434/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS TGFBR1 4489/4885CA12 3169/4885CA1 4434/4885
US-10800789-B2 Antiviral compounds MAVS, EIF2AK2, SARS1 TGFBR1 4633/4885CA12 4026/4885CA1 4709/4885
US-20080044380-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS TGFBR1 4489/4885CA12 3169/4885CA1 4434/4885
US-20190337960-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 TGFBR1 4633/4885CA12 4026/4885CA1 4709/4885

“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.