SCHEMBL756357

SCHEMBL756357

CC(C)[C@H](Nc1cncnc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
BCAT2 O15382 1/20 0.40
GAA P10253 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 2/20 0.38
FPR2 P25090 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HCAR2 Q8TDS4 1/20 0.38
NPSR1 Q6W5P4 1/20 0.35
MMP2 P08253 2/20 0.34
MMP3 P08254 2/20 0.34
MMP13 P45452 2/20 0.34
ADAMTS4 O75173 1/20 0.34
MMP1 P03956 1/20 0.34
MMP7 P09237 1/20 0.34
MMP9 P14780 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
SCHEMBL2160122 1.00 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ABCAT2GAA
SCHEMBL2160129 1.00 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ABCAT2GAA
SCHEMBL8907560 0.85 BCAT2 (0.36) ALDH1A1BCAT2KDM4EHCAR2
SCHEMBL890126 0.85 BCAT2 (0.36) ALDH1A1BCAT2FPR2KDM4EHCAR2
SCHEMBL5508581 0.81 BCAT2 (0.42) ALDH1A1BCAT2HPGDKDM4EHCAR2
SCHEMBL5508575 0.81 BCAT2 (0.42) ALDH1A1BCAT2HPGDKDM4EHCAR2
SCHEMBL19364698 0.81 BCAT2 (0.33) BCAT2GAALMNAHPGDSMN1; SMN2
SCHEMBL8921088 0.81 MEN1 (0.37) ALDH1A1MEN1KMT2ABCAT2HPGD
SCHEMBL8910369 0.81 BCAT2 (0.37) MEN1KMT2ABCAT2GAALMNA
SCHEMBL2159076 0.80 FDPS (0.51) ALDH1A1MEN1KMT2AGAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023180189-A1 MPRO TARGETING ANTIVIRAL COMPOUNDS EXSCIENTIA AI LIMITED (GB) 2023-09-28 WO 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-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 US disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 US disclosed
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 EP disclosed
US-9776981-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 US disclosed
US-9776981-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 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-2008021927-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
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 (5 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 ALDH1A1 1107/4885MEN1 4863/4885KMT2A 4482/4885
US-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ALDH1A1 1144/4885MEN1 4867/4885KMT2A 4516/4885
US-20080044379-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ALDH1A1 1144/4885MEN1 4867/4885KMT2A 4516/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS ALDH1A1 1144/4885MEN1 4867/4885KMT2A 4516/4885
US-20080044380-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ALDH1A1 1144/4885MEN1 4867/4885KMT2A 4516/4885

“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.