SCHEMBL9937871

SCHEMBL9937871

O=C(NC1C2C=CC(CC2)C1C(=O)O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
GAA P10253 1/20 0.56
TSHR P16473 1/20 0.51
CPB1 P15086 2/20 0.49
EPHX1 P07099 1/20 0.48
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSK P43235 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46

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
SCHEMBL9940952 0.95 ALDH1A1 (0.54) ALDH1A1GAATSHRCPB1EPHX1
SCHEMBL29552446 0.90 TSHR (0.58) ALDH1A1GAATSHRCPB1EPHX1
SCHEMBL19437142 0.90 ALDH1A1 (0.53) ALDH1A1GAATSHRCPB1EPHX1
SCHEMBL3223441 0.90 ALDH1A1 (0.53) ALDH1A1GAATSHRCPB1EPHX1
SCHEMBL4379957 0.90 ALDH1A1 (0.53) ALDH1A1GAATSHRCPB1EPHX1
SCHEMBL3203924 0.90 ALDH1A1 (0.53) ALDH1A1GAATSHRCPB1EPHX1
SCHEMBL3219056 0.90 ALDH1A1 (0.53) ALDH1A1GAATSHRCPB1EPHX1
SCHEMBL4386420 0.90 ALDH1A1 (0.53) ALDH1A1GAATSHRCPB1EPHX1
SCHEMBL3204209 0.90 ALDH1A1 (0.53) ALDH1A1GAATSHRCPB1EPHX1
SCHEMBL1756904 0.89 CPB1 (0.58) ALDH1A1GAATSHRCPB1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3440051-B1 NEUROPEPTIDE S RECEPTOR (NPSR) AGONISTS RES TRIANGLE INST (US) 2024-03-20 EP disclosed
EP-3555095-B1 INHIBITORS OF INFLUENZA VIRUS REPLICATION AND USES THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2023-04-12 EP disclosed
EP-3362451-B1 INHIBITORS OF INFLUENZA VIRUS REPLICATION, APPLICATION METHODS AND USES THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2023-04-12 EP disclosed
CN-109153635-B Neuropeptide S receptor (NPSR) agonists 研究三角协会 2022-04-08 CN disclosed
US-11225477-B2 Inhibitors of influenza virus replication, application methods and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2022-01-18 US disclosed
US-11142546-B2 Neuropeptide S receptor (NPSR) agonists RESEARCH TRIANGLE INSTITUTE (US) 2021-10-12 US disclosed
US-10987354-B2 Inhibitors of influenza virus replication and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2021-04-27 US disclosed
US-10927118-B2 Inhibitors of influenza virus replication and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2021-02-23 US disclosed
US-20200339564-A1 INHIBITORS OF INFLUENZA VIRUS REPLICATION AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2020-10-29 US disclosed
US-20200299294-A1 INHIBITORS OF INFLUENZA VIRUS REPLICATION, APPLICATION METHODS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2020-09-24 US disclosed
US-20180346463-A1 INHIBITORS OF INFLUENZA VIRUS REPLICATION, APPLICATION METHODS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2018-12-06 US disclosed
WO-2017176461-A1 NEUROPEPTIDE S RECEPTOR (NPSR) AGONISTS RESEARCH TRIANGLE INSTITUTE (US) 2017-10-12 WO disclosed
US-8871774-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-28 US disclosed
US-20140005197-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-02 US disclosed
US-20140005192-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-02 US disclosed
US-20130345218-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED 2013-12-26 US disclosed
EP-2651941-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION Vertex Pharmaceuticals Incorporated (US) 2013-10-23 EP disclosed
EP-2651940-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION Vertex Pharmaceuticals Incorporated (US) 2013-10-23 EP disclosed
WO-2012083117-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-21 WO disclosed
WO-2012083121-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-21 WO 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-20200299294-A1 INHIBITORS OF INFLUENZA VIRUS REPLICATION, APPLICATION METHODS AND USES THEREOF POLRMT, EIF2AK2, POLM ALDH1A1 3790/4885GAA 346/4885TSHR 3992/4885
US-20180346463-A1 INHIBITORS OF INFLUENZA VIRUS REPLICATION, APPLICATION METHODS AND USES THEREOF POLRMT, EIF2AK2, POLM ALDH1A1 3790/4885GAA 346/4885TSHR 3992/4885
US-10927118-B2 Inhibitors of influenza virus replication and uses thereof EIF2AK2, POLRMT, ZC3HAV1 ALDH1A1 4038/4885GAA 464/4885TSHR 3985/4885
US-20200339564-A1 INHIBITORS OF INFLUENZA VIRUS REPLICATION AND USES THEREOF EIF2AK2, ZC3HAV1, MAVS ALDH1A1 3638/4885GAA 486/4885TSHR 4068/4885
US-10987354-B2 Inhibitors of influenza virus replication and uses thereof ZC3HAV1, MAVS, POLRMT ALDH1A1 3909/4885GAA 508/4885TSHR 4049/4885
US-20140005192-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, RNASEH1, ACE2 ALDH1A1 3087/4885GAA 500/4885TSHR 2296/4885
US-20130345218-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, RNASEH1, ACE2 ALDH1A1 3087/4885GAA 500/4885TSHR 2296/4885
US-11142546-B2 Neuropeptide S receptor (NPSR) agonists NPSR1, GRPR, NPBWR1 ALDH1A1 4747/4885GAA 671/4885TSHR 62/4885
US-11225477-B2 Inhibitors of influenza virus replication, application methods and uses thereof POLRMT, EIF2AK2, POLM ALDH1A1 3790/4885GAA 346/4885TSHR 3992/4885
US-20140005197-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, RNASEH1, ACE2 ALDH1A1 3087/4885GAA 500/4885TSHR 2296/4885

“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.