SCHEMBL2630591

SCHEMBL2630591

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.38
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
CACNA1H O95180 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
LMNA P02545 1/20 0.33
CTSL P07711 1/20 0.33
EPHX2 P34913 2/20 0.33
HCRTR2 O43614 1/20 0.33
CPB2 Q96IY4 1/20 0.32
AKT1 P31749 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32

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
SCHEMBL8200484 0.87 KMT2A (0.39) KMT2AMEN1MAPK1ALDH1A1TSHR
SCHEMBL5427004 0.87 KMT2A (0.39) KMT2AMEN1MAPK1ALDH1A1TSHR
SCHEMBL10089091 0.84 KMT2A (0.37) KMT2AMEN1MAPK1ALDH1A1TSHR
SCHEMBL13415252 0.84 KMT2A (0.37) KMT2AMEN1MAPK1ALDH1A1TSHR
SCHEMBL1433455 0.82 KMT2A (0.38) KMT2AMEN1MAPK1ALDH1A1TSHR
SCHEMBL6051013 0.82 KMT2A (0.38) KMT2AMEN1MAPK1ALDH1A1TSHR
SCHEMBL375218 0.82 KMT2A (0.38) KMT2AMEN1MAPK1ALDH1A1TSHR
SCHEMBL13817962 0.81 SMN1; SMN2 (0.37) KMT2AMEN1MAPK1ALDH1A1TSHR
SCHEMBL2617639 0.81 KMT2A (0.35) KMT2AMEN1MAPK1ALDH1A1TSHR
SCHEMBL5036319 0.81 SMN1; SMN2 (0.37) KMT2AMEN1MAPK1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163921-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-24 US disclosed
US-7964560-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-21 US disclosed
US-7935670-B2 N-(4,6-dimethyl-2-pyridinyl)-L-valyl- N-(1-((cyclopropylsulfonyl)carbamoyl)-2-vinylcyclopropyl)-4-((6-methoxy-1-isoquinolinyl)carboxy)-L-prolinamide; viricide; synergistic with other active ingredients BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-03 US disclosed
US-7888464-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-15 US disclosed
US-7772180-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-10 US disclosed
US-20100113440-A1 PYRIMIDINE SUBSTITUTED MACROCYCLIC HCV INHIBITORS TIBOTEC PHARMACEUTICALS, LTD. (IE) 2010-05-06 US disclosed
US-20100041728-A1 HCV INHIBITING MACROCYCLIC PHENYLCARBAMATES MEDIVIR AB 2010-02-18 US disclosed
US-20090304626-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-12-10 US disclosed
WO-2009146347-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-03 WO disclosed
US-20090285774-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-11-19 US disclosed
US-20090274648-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-11-05 US disclosed
US-20090274652-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-11-05 US disclosed
US-7601686-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-13 US disclosed
US-7592336-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US disclosed
US-20080152619-A1 N-(4,6-dimethyl-2-pyridinyl)-L-valyl-(4R) N-((1R,2S)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylcyclopropyl)-4-((6-methoxy-1-isoquinolinyl)oxy)-L-prolinamide; viricide; synergistic with other active ingredients BRISTOL-MYERS SQUIBB COMPANY 2008-06-26 US disclosed
US-20080119461-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-05-22 US disclosed
US-7323447-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-29 US disclosed
US-20080014173-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-01-17 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 (9 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-20080119461-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, PYGL KMT2A 4486/4885MEN1 4801/4885MAPK1 3159/4885
US-20100041728-A1 HCV INHIBITING MACROCYCLIC PHENYLCARBAMATES COPB1, HAVCR2, NOD1 KMT2A 4465/4885MEN1 4343/4885MAPK1 516/4885
US-20090304626-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, PYGL KMT2A 4486/4885MEN1 4801/4885MAPK1 3159/4885
US-20080014173-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, PYGL KMT2A 4486/4885MEN1 4801/4885MAPK1 3159/4885
US-20090285774-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, PYGL KMT2A 4486/4885MEN1 4801/4885MAPK1 3159/4885
US-20090274652-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, PYGL KMT2A 4486/4885MEN1 4801/4885MAPK1 3159/4885
US-20090274648-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, PYGL KMT2A 4486/4885MEN1 4801/4885MAPK1 3159/4885
US-20100113440-A1 PYRIMIDINE SUBSTITUTED MACROCYCLIC HCV INHIBITORS NUDT1, PNP, SLC28A1 KMT2A 4374/4885MEN1 4587/4885MAPK1 912/4885
US-20080152619-A1 N-(4,6-dimethyl-2-pyridinyl)-L-valyl-(4R) N-((1R,2S)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylcyclopropyl)-4-((6-methoxy-1-isoquinolinyl)oxy)-L-prolinamide; viricide; synergistic with other active ingredients PREP, PPIL4, PPID KMT2A 3698/4885MEN1 4728/4885MAPK1 3754/4885

“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.