Sugi Predict

Sugi Predict / Compounds / SCHEMBL755732

SCHEMBL755732

SCHEMBL755732

CN(C)C(C(=O)O)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ TSHR P16473 3/20 0.47
▸ LMNA P02545 4/20 0.47
▸ CYP3A4 P08684 3/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SLC6A2 P23975 2/20 0.45
▸ SLC6A4 P31645 2/20 0.45
▸ CHRM2 P08172 1/20 0.45
▸ SCN1A P35498 1/20 0.45
▸ SCN2A Q99250 1/20 0.45
▸ SCN3A Q9NY46 1/20 0.45
▸ SLC6A3 Q01959 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.42
▸ PMP22 Q01453 2/20 0.42
▸ BLM P54132 1/20 0.42
▸ ABCB11 O95342 1/20 0.42
▸ ESR1 P03372 1/20 0.42

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
SCHEMBL890236 0.86 TSHR (0.47) ALDH1A1CYP1A2TSHRLMNACYP3A4
SCHEMBL13747766 0.84 TSHR (0.46) ALDH1A1CYP1A2TSHRLMNACYP3A4
SCHEMBL8917352 0.83 ALDH1A1 (0.60) ALDH1A1CYP1A2TSHRLMNACYP3A4
SCHEMBL888725 0.83 CYP3A4 (0.46) ALDH1A1CYP1A2TSHRLMNACYP3A4
SCHEMBL14677703 0.82 ALDH1A1 (0.46) ALDH1A1CYP1A2TSHRLMNACYP3A4
SCHEMBL8907264 0.81 CYP2C19 (0.59) ALDH1A1CYP1A2TSHRLMNACYP3A4
SCHEMBL19578000 0.78 ALDH1A1 (0.44) ALDH1A1CYP1A2TSHRLMNACYP3A4
SCHEMBL11815244 0.77 TSHR (0.46) ALDH1A1CYP1A2TSHRLMNACYP3A4
SCHEMBL6264784 0.76 CYP3A4 (0.62) ALDH1A1CYP1A2TSHRLMNACYP3A4
SCHEMBL933349 0.76 CYP3A4 (0.62) ALDH1A1CYP1A2TSHRLMNACYP3A4

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 126 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-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
EP-2328865-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-05-31 — — EP disclosed
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 — — US disclosed
US-20080311075-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-12-18 — — US disclosed
US-20080299075-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-12-04 — — 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
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-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 (8 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 1107/4885CYP1A2 2057/4885TSHR 4676/4885
US-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ALDH1A1 1144/4885CYP1A2 2139/4885TSHR 4635/4885
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS ALDH1A1 1144/4885CYP1A2 2139/4885TSHR 4635/4885
US-20080299075-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS ALDH1A1 1144/4885CYP1A2 2139/4885TSHR 4635/4885
US-20080044379-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ALDH1A1 1144/4885CYP1A2 2139/4885TSHR 4635/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS ALDH1A1 1144/4885CYP1A2 2139/4885TSHR 4635/4885
US-20080044380-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ALDH1A1 1144/4885CYP1A2 2139/4885TSHR 4635/4885
US-20080311075-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ALDH1A1 1144/4885CYP1A2 2139/4885TSHR 4635/4885

“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.