Sugi Predict

Sugi Predict / Compounds / SCHEMBL846535

SCHEMBL846535

SCHEMBL846535

CC(C(=O)O)c1cnc2ccccc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 2/20 0.62
▸ AKR1C2 P52895 2/20 0.62
▸ MGAM O43451 1/20 0.54
▸ AKR1B1 P15121 2/20 0.49
▸ RAB9A P51151 3/20 0.48
▸ CYP1A2 P05177 1/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ KDR P35968 1/20 0.47
▸ PTGS2 P35354 3/20 0.46
▸ ACP1 P24666 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ OGA O60502 1/20 0.46
▸ MAP4K4 O95819 1/20 0.44
▸ CSNK1G2 P78368 1/20 0.44
▸ CLK4 Q9HAZ1 1/20 0.44
▸ MKNK2 Q9HBH9 1/20 0.44
▸ MAP4K5 Q9Y4K4 1/20 0.44

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
SCHEMBL31016541 1.00 AKR1C3 (0.62) AKR1C3AKR1C2MGAMAKR1B1RAB9A
Hydrochloric Acid SCHEMBL27540082 0.98 AKR1C3 (0.61) AKR1C3AKR1C2MGAMAKR1B1RAB9A
SCHEMBL28169186 0.89 MGAM (0.51) AKR1C3AKR1C2MGAMRAB9ACYP1A2
SCHEMBL530806 0.86 MGAM (0.49) AKR1C3AKR1C2MGAMRAB9ACYP1A2
SCHEMBL6190703 0.83 KDM4E (0.50) AKR1C3AKR1C2MGAMRAB9ACYP1A2
SCHEMBL847229 0.81 CYP1A2 (0.50) AKR1C3AKR1C2MGAMRAB9ACYP1A2
SCHEMBL2631569 0.81 MGAM (0.54) AKR1C3AKR1C2MGAMRAB9ACYP1A2
SCHEMBL304022 0.80 MGAM (0.50) AKR1C3AKR1C2MGAMRAB9ACYP1A2
SCHEMBL305325 0.80 MGAM (0.50) AKR1C3AKR1C2MGAMRAB9ACYP1A2
SCHEMBL305326 0.80 MGAM (0.50) AKR1C3AKR1C2MGAMRAB9ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114010788-A Channel modulators 奥克兰联合服务有限公司 2022-02-08 — — CN disclosed
CN-107109410-B Channel modulators 奥克兰联合服务有限公司 2021-11-02 — — CN disclosed
US-20210246136-A1 CYCLOBUTANES- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-08-12 — — US disclosed
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 — — 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-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
EP-1471923-A4 AMIDO MACROLIDES KOSAN BIOSCIENCES INC (US) 2006-01-11 — — EP disclosed
EP-1471923-A1 AMIDO MACROLIDES Kosan Biosciences, Inc. (US) 2004-11-03 — — EP disclosed
WO-2003061671-A1 AMIDO MACROLIDES KOSAN BIOSCIENCES, INC. (US) 2003-07-31 — — WO disclosed
CN-1201454-A Meta-guanidino, ureido, thioureido or azacyclic aminobenzoic acid derivatives as integrin antagonists SEARLE & CO (US) 1998-12-09 — — CN 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 (10 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 AKR1C3 2930/4885AKR1C2 3427/4885MGAM 4181/4885
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR HAVCR2, LIPC, PYGL AKR1C3 1616/4885AKR1C2 2445/4885MGAM 3548/4885
US-20160067223-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS AKR1C3 1685/4885AKR1C2 2529/4885MGAM 3627/4885
US-20110195044-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS AKR1C3 1685/4885AKR1C2 2529/4885MGAM 3627/4885
US-20210246136-A1 CYCLOBUTANES- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGA1 AKR1C3 859/4885AKR1C2 743/4885MGAM 3523/4885
US-20110268697-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS AKR1C3 1685/4885AKR1C2 2529/4885MGAM 3627/4885
US-20110269956-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, MAVS AKR1C3 1824/4885AKR1C2 2777/4885MGAM 3120/4885
US-20110130433-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS AKR1C3 2930/4885AKR1C2 3427/4885MGAM 4181/4885
US-20160311778-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS AKR1C3 1685/4885AKR1C2 2529/4885MGAM 3627/4885
US-20110098327-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS AKR1C3 3147/4885AKR1C2 3434/4885MGAM 4119/4885

“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.