SCHEMBL16407804

SCHEMBL16407804

C[C@@](O)(CC1CC1)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TSHR P16473 1/20 0.43
HTR2C P28335 1/20 0.43
GAA P10253 1/20 0.43
PTPRC P08575 1/20 0.42
PTPN1 P18031 1/20 0.42
CYP2C19 P33261 1/20 0.42
FKBP1A P62942 1/20 0.41

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
SCHEMBL16370006 1.00 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1MAPK1L3MBTL1
SCHEMBL23156761 0.82 ALDH1A1 (0.46) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL638420 0.81 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1MAPK1L3MBTL1
SCHEMBL2032918 0.81 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1MAPK1L3MBTL1
SCHEMBL16369941 0.81 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1MAPK1L3MBTL1
SCHEMBL27801778 0.81 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1MAPK1L3MBTL1
SCHEMBL28664301 0.80 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1MAPK1L3MBTL1
SCHEMBL24827551 0.79 FKBP1A (0.47) ALDH1A1KMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL8884912 0.79 SMN1; SMN2 (0.50) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL18484541 0.79 SIGMAR1 (0.41) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10617675-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-04-14 US disclosed
CN-105517574-B The combination product of hepatitis C virus inhibitors 百时美施贵宝公司 2019-01-18 CN disclosed
US-20180221342-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-08-09 US disclosed
US-20180221342-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-08-09 US disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
WO-2017023631-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-02-09 WO disclosed
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-06-09 US disclosed
CN-105517574-A Combinations of hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2016-04-20 CN disclosed
US-20150297568-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-10-22 US disclosed
US-20150023913-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2015-01-22 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-10617675-B2 Hepatitis C virus inhibitors HAVCR2, MAVS, EIF2AK2 ALDH1A1 3966/4885KMT2A 4038/4885MEN1 4834/4885
US-20150023913-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 ALDH1A1 3966/4885KMT2A 4038/4885MEN1 4834/4885
US-20150297568-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 ALDH1A1 3966/4885KMT2A 4038/4885MEN1 4834/4885
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS ALDH1A1 3872/4885KMT2A 4192/4885MEN1 4813/4885
US-20180221342-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, MAVS, EIF2AK2 ALDH1A1 3966/4885KMT2A 4038/4885MEN1 4834/4885

“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.