Sugi Predict

Sugi Predict / Compounds / SCHEMBL240377

SCHEMBL240377

SCHEMBL240377

CS(=O)(=O)c1ccc(N2[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)CC[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 10/20 0.38
▸ NPBWR1 P48145 1/20 0.37
▸ MCHR1 Q99705 1/20 0.37
▸ VDR P11473 2/20 0.35
▸ THRA P10827 1/20 0.35
▸ GPR119 Q8TDV5 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ KAT2B Q92831 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL242322 0.87 KAT2B (0.40) VCAM1NPBWR1MCHR1KDM4EALDH1A1
SCHEMBL240276 0.86 CNR1 (0.39) VCAM1NPBWR1MCHR1KDM4EALDH1A1
SCHEMBL238247 0.82 KAT2B (0.37) VCAM1NPBWR1MCHR1KDM4EALDH1A1
SCHEMBL239929 0.82 KMT2A (0.33) VCAM1NPBWR1MCHR1KDM4EALDH1A1
SCHEMBL240641 0.81 MAPT (0.41) VCAM1NPBWR1MCHR1KDM4EALDH1A1
SCHEMBL30554955 0.81 MAPT (0.41) VCAM1NPBWR1MCHR1KDM4EALDH1A1
SCHEMBL1986316 0.81 MAPT (0.41) VCAM1NPBWR1MCHR1KDM4EALDH1A1
SCHEMBL241163 0.79 MAPT (0.37) VCAM1NPBWR1MCHR1KDM4EALDH1A1
SCHEMBL241278 0.79 KMT2A (0.38) VCAM1NPBWR1MCHR1KDM4EALDH1A1
SCHEMBL16381590 0.79 SMN1; SMN2 (0.41) VCAM1NPBWR1MCHR1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230285378-A1 Anti-Viral Compounds ABBVIE INC. (US) 2023-09-14 — — US 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-10028937-B2 Anti-viral compounds ABBVIE INC. (US) 2018-07-24 — — US disclosed
US-20170157104-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 — — US disclosed
US-20170157105-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 — — US disclosed
EP-2678334-B1 ANTI-VIRAL COMPOUNDS ABBVIE BAHAMAS LTD (BS) 2017-03-22 — — EP disclosed
US-9586978-B2 Anti-viral compounds ABBVIE INC. (US) 2017-03-07 — — US disclosed
EP-2692346-B1 An antiviral 1-phenyl-2,5-dibenzimidazol-5-yl-pyrrolidine derivative ABBVIE BAHAMAS LTD (BS) 2015-12-02 — — EP disclosed
US-20150087618-A1 Anti-Viral Compounds ABBVIE INC. (US) 2015-03-26 — — US disclosed
US-8937150-B2 Anti-viral compounds ABBVIE INC. (US) 2015-01-20 — — US disclosed
US-8921514-B2 Anti-viral compounds ABBVIE INC. (US) 2014-12-30 — — US disclosed
EP-2692726-A1 Anti-viral compounds Abbvie Inc. (US) 2014-02-05 — — EP disclosed
EP-2692346-A1 An antiviral 1-phenyl-2,5-dibenzimidazol-5-yl-pyrrolidine derivative Abbvie Inc. (US) 2014-02-05 — — EP disclosed
US-20120220562-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-08-30 — — US disclosed
US-20120004196-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-01-05 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 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-10028937-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS VCAM1 931/4885NPBWR1 4544/4885MCHR1 4556/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS VCAM1 931/4885NPBWR1 4544/4885MCHR1 4556/4885
US-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS VCAM1 931/4885NPBWR1 4544/4885MCHR1 4556/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS VCAM1 931/4885NPBWR1 4544/4885MCHR1 4556/4885
US-20110092415-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS VCAM1 931/4885NPBWR1 4544/4885MCHR1 4556/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS VCAM1 931/4885NPBWR1 4544/4885MCHR1 4556/4885
US-20150087618-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS VCAM1 931/4885NPBWR1 4544/4885MCHR1 4556/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS VCAM1 931/4885NPBWR1 4544/4885MCHR1 4556/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS VCAM1 931/4885NPBWR1 4544/4885MCHR1 4556/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS VCAM1 931/4885NPBWR1 4544/4885MCHR1 4556/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS VCAM1 931/4885NPBWR1 4544/4885MCHR1 4556/4885

“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.