SCHEMBL846586

SCHEMBL846586

C[C@@H](Cc1cn(Cc2ccccc2)nn1)C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.52
HSP90AB1 P08238 3/20 0.52
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
KDM1A O60341 3/20 0.49
HDAC1 Q13547 1/20 0.47
MME P08473 1/20 0.47

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
SCHEMBL18179442 1.00 CYP19A1 (0.52) CYP19A1HSP90AB1ALDH1A1LMNAKDM1A
SCHEMBL2628008 0.85 CYP19A1 (0.52) CYP19A1HSP90AB1ALDH1A1LMNAKDM1A
SCHEMBL19697731 0.85 ALDH1A1 (0.48) CYP19A1HSP90AB1ALDH1A1LMNAHDAC1
SCHEMBL18183893 0.82 CYP19A1 (0.48) CYP19A1HSP90AB1ALDH1A1LMNAKDM1A
SCHEMBL14479459 0.82 CYP19A1 (0.48) CYP19A1HSP90AB1ALDH1A1LMNAKDM1A
SCHEMBL3097402 0.79 CYP19A1 (0.57) CYP19A1HSP90AB1ALDH1A1LMNAHDAC1
SCHEMBL755889 0.79 CYP19A1 (0.47) CYP19A1HSP90AB1ALDH1A1LMNAKDM1A
SCHEMBL10132030 0.79 PTPN1 (0.49)
SCHEMBL756405 0.79 PTPN1 (0.49)
SCHEMBL23861821 0.79 CYP19A1 (0.65) CYP19A1HSP90AB1

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-20150322031-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 CYP19A1 3973/4885HSP90AB1 107/4885ALDH1A1 2120/4885
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR HAVCR2, LIPC, PYGL CYP19A1 4235/4885HSP90AB1 152/4885ALDH1A1 1107/4885
US-20160067223-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CYP19A1 4211/4885HSP90AB1 159/4885ALDH1A1 1144/4885
US-20110294819-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 CYP19A1 4675/4885HSP90AB1 57/4885ALDH1A1 3778/4885
US-20110286961-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CYP19A1 4211/4885HSP90AB1 159/4885ALDH1A1 1144/4885
US-20110281910-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS CYP19A1 4083/4885HSP90AB1 112/4885ALDH1A1 2265/4885
US-20110195044-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CYP19A1 4211/4885HSP90AB1 159/4885ALDH1A1 1144/4885
US-20150322031-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CYP19A1 4211/4885HSP90AB1 159/4885ALDH1A1 1144/4885
US-20110268697-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CYP19A1 4211/4885HSP90AB1 159/4885ALDH1A1 1144/4885
US-20110269956-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, MAVS CYP19A1 4530/4885HSP90AB1 174/4885ALDH1A1 1627/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS CYP19A1 4211/4885HSP90AB1 159/4885ALDH1A1 1144/4885
US-20110130433-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS CYP19A1 3973/4885HSP90AB1 107/4885ALDH1A1 2120/4885
US-20160311778-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CYP19A1 4211/4885HSP90AB1 159/4885ALDH1A1 1144/4885
US-20110098327-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS CYP19A1 3939/4885HSP90AB1 125/4885ALDH1A1 2177/4885
US-20110274648-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CYP19A1 4211/4885HSP90AB1 159/4885ALDH1A1 1144/4885

“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.