SCHEMBL524873

SCHEMBL524873

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 13/20 0.41
TGFBR1 P36897 1/20 0.40
NAALAD2 Q9Y3Q0 4/20 0.39
RIMKLA Q8IXN7 1/20 0.39
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
NFKB1 P19838 1/20 0.35
PTGS2 P35354 1/20 0.35
THPO P40225 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL14479480 1.00 FOLH1 (0.41) FOLH1TGFBR1NAALAD2RIMKLAKDM4E
SCHEMBL205554 1.00 FOLH1 (0.41) FOLH1TGFBR1NAALAD2RIMKLAKDM4E
SCHEMBL19339927 0.89 FOLH1 (0.40) FOLH1TGFBR1NAALAD2RIMKLAALDH1A1
SCHEMBL468784 0.84 SMN1; SMN2 (0.53) FOLH1TGFBR1NAALAD2RIMKLAKDM4E
SCHEMBL890149 0.84 GAA (0.32) ALOX15ALDH1A1
SCHEMBL12061774 0.84 GAA (0.32) ALOX15ALDH1A1
SCHEMBL12654968 0.84 GAA (0.32) ALOX15ALDH1A1
SCHEMBL25262348 0.84 CTSK (0.48)
SCHEMBL953455 0.84 CTSK (0.48)
SCHEMBL953453 0.84 CTSK (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499127-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-09-05 EP disclosed
US-9981955-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2018-05-29 US disclosed
EP-3309157-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-04-18 EP disclosed
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-9776981-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 US disclosed
EP-3002281-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-09-13 EP disclosed
EP-2513091-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-04-12 EP disclosed
EP-2513091-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-04-12 EP disclosed
EP-2499132-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-02-15 EP disclosed
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 US disclosed
WO-2011075439-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-23 WO disclosed
WO-2011059887-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 WO disclosed
WO-2011059850-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 WO disclosed
WO-2011054834-A1 BENZIMIDAZOLE-IMIDAZOLE DERIVATIVES TIBOTEC PHARMACEUTICALS (IE) 2011-05-12 WO disclosed
WO-2011054834-A1 BENZIMIDAZOLE-IMIDAZOLE DERIVATIVES TIBOTEC PHARMACEUTICALS (IE) 2011-05-12 WO disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 US disclosed
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 WO disclosed
US-7704992-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-27 US disclosed
US-20090202483-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-08-13 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-20170355689-A1 HEPATITIS C VIRUS INHIBITOR HAVCR2, LIPC, PYGL FOLH1 1507/4885TGFBR1 4572/4885NAALAD2 771/4885
US-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 FOLH1 3129/4885TGFBR1 4682/4885NAALAD2 644/4885
US-20090202483-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS FOLH1 1409/4885TGFBR1 4489/4885NAALAD2 872/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 FOLH1 3129/4885TGFBR1 4682/4885NAALAD2 644/4885

“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.