SCHEMBL846777

SCHEMBL846777

C[C@@H](Cn1cccn1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.51
TSHR P16473 2/20 0.49
APAF1 O14727 5/20 0.40
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HTT P42858 1/20 0.40
NLRP3 Q96P20 1/20 0.39
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
TBXAS1 P24557 1/20 0.36
CYP1A2 P05177 1/20 0.36
KMO O15229 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4791740 1.00 FDPS (0.51) FDPSTSHRAPAF1POLBLMNA
SCHEMBL13442958 0.85 FDPS (0.51) FDPSTSHRHDAC1HDAC6HTT
SCHEMBL4797265 0.84 FDPS (0.50) FDPSTSHRLMNAHDAC1HDAC6
SCHEMBL6649732 0.81 FDPS (0.47) FDPSTSHRHDAC1HDAC6HTT
SCHEMBL4940046 0.81 FDPS (0.47) FDPSTSHRHDAC1HDAC6HTT
SCHEMBL16029636 0.81 NLRP3 (0.51) FDPSTSHRPOLBLMNAHDAC1
SCHEMBL20514410 0.79 TSHR (0.54) FDPSTSHRHDAC1HDAC6HTT
SCHEMBL20708981 0.79 TSHR (0.54) FDPSTSHRHDAC1HDAC6HTT
SCHEMBL20514412 0.79 TSHR (0.54) FDPSTSHRHDAC1HDAC6HTT
SCHEMBL9462503 0.78 FDPS (0.51) FDPSTSHRHDAC1HDAC6HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20160311778-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2016-10-27 US disclosed
US-9421192-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-23 US disclosed
US-9303007-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-05 US disclosed
US-20160067223-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-03-10 US disclosed
US-9227961-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-05 US disclosed
US-20150322048-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-11-12 US disclosed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 US disclosed
US-20110286961-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-24 US disclosed
US-20110281910-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-17 US disclosed
US-20110274648-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-10 US disclosed
US-20110269956-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-03 US disclosed
US-20110268697-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-03 US disclosed
US-20110237636-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-09-29 US disclosed
US-20110195044-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US disclosed
US-20110130433-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-06-02 US disclosed
US-20110098327-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-04-28 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 (15 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-20110237636-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS FDPS 912/4885TSHR 4547/4885APAF1 1762/4885
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR HAVCR2, LIPC, PYGL FDPS 520/4885TSHR 4676/4885APAF1 1828/4885
US-20160067223-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS FDPS 546/4885TSHR 4635/4885APAF1 1674/4885
US-20110294819-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 FDPS 1309/4885TSHR 4457/4885APAF1 1319/4885
US-20110286961-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS FDPS 546/4885TSHR 4635/4885APAF1 1674/4885
US-20110281910-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS FDPS 967/4885TSHR 4503/4885APAF1 1884/4885
US-20110195044-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS FDPS 546/4885TSHR 4635/4885APAF1 1674/4885
US-20110268697-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS FDPS 546/4885TSHR 4635/4885APAF1 1674/4885
US-20110269956-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, MAVS FDPS 1220/4885TSHR 4107/4885APAF1 591/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS FDPS 546/4885TSHR 4635/4885APAF1 1674/4885
US-20110130433-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS FDPS 912/4885TSHR 4547/4885APAF1 1762/4885
US-20160311778-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS FDPS 546/4885TSHR 4635/4885APAF1 1674/4885
US-20110098327-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS FDPS 811/4885TSHR 4444/4885APAF1 1966/4885
US-20150322048-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS FDPS 546/4885TSHR 4635/4885APAF1 1674/4885
US-20110274648-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS FDPS 546/4885TSHR 4635/4885APAF1 1674/4885

“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.