SCHEMBL17217043

SCHEMBL17217043

Oc1ccc(C=Cc2ccc(F)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.71
NFE2L2 Q16236 4/20 0.61
APP P05067 5/20 0.58
CA12 O43570 2/20 0.58
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
CA3 P07451 2/20 0.58
CA4 P22748 2/20 0.58
CA6 P23280 2/20 0.58
CA5A P35218 2/20 0.58
CA7 P43166 2/20 0.58
CA9 Q16790 2/20 0.58
CA13 Q8N1Q1 2/20 0.58
CA14 Q9ULX7 2/20 0.58
CA5B Q9Y2D0 2/20 0.58
KDM4E B2RXH2 2/20 0.58
MEN1 O00255 2/20 0.58
ALDH1A1 P00352 2/20 0.58
LMNA P02545 2/20 0.58
TP53 P04637 2/20 0.58

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
SCHEMBL13647364 1.00 PTGS1 (0.71) PTGS1NFE2L2APPCA12CA1
SCHEMBL28837412 0.88 PTGS1 (0.57) PTGS1NFE2L2APPCA12CA1
SCHEMBL9678787 0.86 APP (0.74) PTGS1NFE2L2APPCA12CA1
Trans-4,4'-Dihydroxystilbene SCHEMBL491346 0.86 APP (0.74) PTGS1NFE2L2APPCA12CA1
SCHEMBL13766470 0.86 NFE2L2 (0.78) PTGS1NFE2L2APPALOX5PTGS2
Trans-4,4'-Dihydroxystilbene SCHEMBL13339135 0.86 APP (0.74) PTGS1NFE2L2APPCA12CA1
SCHEMBL6266989 0.86 APP (0.74) PTGS1NFE2L2APPCA12CA1
SCHEMBL700051 0.86 NFE2L2 (0.78) PTGS1NFE2L2APPALOX5PTGS2
SCHEMBL22468800 0.86 NFE2L2 (0.78) PTGS1NFE2L2APPALOX5PTGS2
Trans-4,4'-Dihydroxystilbene SCHEMBL145659 0.86 APP (0.74) PTGS1NFE2L2APPCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109503686-B Novel nucleoside phosphoramidate compounds and uses thereof 南京圣和药业股份有限公司 2022-03-11 CN disclosed
CN-108546277-B Novel nucleoside phosphoramidate compounds and uses thereof 南京圣和药业股份有限公司 2021-05-07 CN disclosed
CN-108314697-B Novel nucleoside phosphoramidate compounds and uses thereof 南京圣和药业股份有限公司 2021-05-07 CN disclosed
CN-109503686-A New nucleoside phosphoramidate compound and its application 南京圣和药业股份有限公司 2019-03-22 CN disclosed
CN-108546277-A New nucleoside phosphoramidate compound and its application 南京圣和药业股份有限公司 2018-09-18 CN disclosed
CN-108314697-A New nucleoside phosphoramidate compound and its application 南京圣和药业股份有限公司 2018-07-24 CN disclosed
US-9963480-B2 Nucleoside phosphoramidate compound and use thereof NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) 2018-05-08 US disclosed
CN-104031104-B Novel nucleoside phosphoramidate compounds and uses thereof 南京圣和药业股份有限公司 2018-04-10 CN disclosed
EP-2940031-B1 NUCLEOSIDE PHOSPHORAMIDATE COMPOUNDS FOR USE IN THE TREATMENT OF HCV NANJING SANHOME PHARMACEUTICAL CO LTD (CN) 2017-09-27 EP disclosed
US-20170260126-A1 SQUALENE COMPOUNDS AS MODULATORS OF LDL-RECEPTOR EXPRESSION UNIV OXFORD INNOVATION LTD (GB) 2017-09-14 US disclosed
US-20150361123-A1 NOVEL NUCLEOSIDE PHOSPHORAMIDATE COMPOUND AND USE THEREOF NANJING SANHOME PHARMACEUTICAL CO., LTD (CN) 2015-12-17 US disclosed
EP-2940031-A1 NOVEL NUCLEOSIDE PHOSPHORAMIDATE COMPOUND AND USE THEREOF Nanjing Sanhome Pharmaceutical Co., Ltd. (CN) 2015-11-04 EP 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 (2 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-20150361123-A1 NOVEL NUCLEOSIDE PHOSPHORAMIDATE COMPOUND AND USE THEREOF PNP, NUDT1, SLC28A1 PTGS1 4265/4885NFE2L2 4337/4885APP 3873/4885
US-20170260126-A1 SQUALENE COMPOUNDS AS MODULATORS OF LDL-RECEPTOR EXPRESSION LDLR, NR1H2, SREBF1 PTGS1 347/4885NFE2L2 777/4885APP 1642/4885

“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.