SCHEMBL240087

SCHEMBL240087

CS(=O)(=O)O[C@H](CC[C@@H](OS(C)(=O)=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
PHLPP2 Q6ZVD8 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA1 P00915 5/20 0.41
CA2 P00918 5/20 0.41
CA9 Q16790 5/20 0.41
CA12 O43570 4/20 0.41
CA14 Q9ULX7 4/20 0.41
CA3 P07451 3/20 0.41
CA4 P22748 3/20 0.41
CA6 P23280 3/20 0.41
CA5A P35218 3/20 0.41
CA7 P43166 3/20 0.41
CA13 Q8N1Q1 3/20 0.41

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
SCHEMBL2368747 1.00 ALDH1A1 (0.42) ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL2367911 1.00 ALDH1A1 (0.42) ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL18914287 1.00 ALDH1A1 (0.42) ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL18925905 0.94 KMT2A (0.40) ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL1982239 0.93 CYP19A1 (0.41) ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL18914288 0.92 ALDH1A1 (0.50) ALDH1A1MAPTCA1CA2CA9
SCHEMBL18596304 0.92 ALDH1A1 (0.50) ALDH1A1MAPTCA1CA2CA9
SCHEMBL18653228 0.92 ALDH1A1 (0.50) ALDH1A1MAPTCA1CA2CA9
SCHEMBL18913823 0.87 KCNH2 (0.43) ALDH1A1MAPTTSHRCA1CA2
SCHEMBL21641845 0.86 VCAM1 (0.44) ALDH1A1MAPTCYP1A2CYP3A4KMT2A

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
US-20230285378-A1 Anti-Viral Compounds ABBVIE INC. (US) 2023-09-14 US disclosed
US-20230285378-A1 Anti-Viral Compounds ABBVIE INC. (US) 2023-09-14 US disclosed
US-10766912-B2 Silicon-containing compound for resistance to hepatitis C virus infection CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-09-08 US disclosed
EP-3604295-A1 SILICON-CONTAINING COMPOUND FOR RESISTANCE TO HEPATITIS C VIRUS INFECTION Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2020-02-05 EP disclosed
EP-3438106-A1 ANTI-VIRAL COMPOUNDS AbbVie Ireland Unlimited Company (IE) 2019-02-06 EP disclosed
US-20190015402-A1 Anti-Viral Compounds ABBVIE INC. (US) 2019-01-17 US disclosed
US-10039754-B2 Anti-viral compounds ABBVIE INC. (US) 2018-08-07 US disclosed
US-10039754-B2 Anti-viral compounds ABBVIE INC. (US) 2018-08-07 US disclosed
US-10028937-B2 Anti-viral compounds ABBVIE INC. (US) 2018-07-24 US disclosed
US-10028937-B2 Anti-viral compounds ABBVIE INC. (US) 2018-07-24 US disclosed
US-20120220562-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-08-30 US disclosed
US-20120220562-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-08-30 US disclosed
EP-2455376-A1 Heterocyclic compounds as inhibitors of hepatitis C virus (HCV) Abbott Laboratories (US) 2012-05-23 EP disclosed
US-20120004196-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-01-05 US disclosed
US-20120004196-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-01-05 US disclosed
EP-2368890-A1 Hepatitis C virus inhibitors Abbott Laboratories (US) 2011-09-28 EP disclosed
US-20110207699-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-08-25 US disclosed
US-20110207699-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-08-25 US disclosed
US-20110092415-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-04-21 US disclosed
US-20100317568-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-12-16 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 (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-20100317568-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885MAPT 2833/4885L3MBTL1 2364/4885
US-10028937-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885MAPT 2833/4885L3MBTL1 2364/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885MAPT 2833/4885L3MBTL1 2364/4885
US-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885MAPT 2833/4885L3MBTL1 2364/4885
US-20110092415-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885MAPT 2833/4885L3MBTL1 2364/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885MAPT 2833/4885L3MBTL1 2364/4885
US-10766912-B2 Silicon-containing compound for resistance to hepatitis C virus infection SLC11A2, SLC10A1, SLC39A11 ALDH1A1 3793/4885MAPT 231/4885L3MBTL1 3568/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885MAPT 2833/4885L3MBTL1 2364/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885MAPT 2833/4885L3MBTL1 2364/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885MAPT 2833/4885L3MBTL1 2364/4885

“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.