SCHEMBL2068233

SCHEMBL2068233

COC(=O)CCc1cc(CCc2ccc(N3CCN(C(C)=O)CC3)cn2)cs1

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 17/20 0.79
▸ WNT3A P56704 2/20 0.40
▸ RORC P51449 1/20 0.40

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
SCHEMBL1433161 0.89 AOC3 (0.63) AOC3WNT3A
SCHEMBL1433261 0.88 AOC3 (1.00) AOC3
SCHEMBL27809027 0.88 AOC3 (0.79) AOC3WNT3ARORC
Hydrochloric Acid SCHEMBL1433541 0.87 AOC3 (0.98) AOC3
SCHEMBL27808964 0.87 AOC3 (0.75) AOC3WNT3ARORC
SCHEMBL2069138 0.86 AOC3 (0.74) AOC3WNT3ARORC
SCHEMBL1433098 0.86 AOC3 (0.77) AOC3WNT3ARORC
SCHEMBL27809057 0.84 AOC3 (0.71) AOC3WNT3ARORC
SCHEMBL2070364 0.83 AOC3 (0.70) AOC3WNT3ARORC
SCHEMBL12781036 0.83 AOC3 (1.00) AOC3

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
US-9603833-B2 Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2017-03-28 — — US disclosed
US-9603833-B2 Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2017-03-28 — — US disclosed
US-9603833-B2 Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2017-03-28 — — US disclosed
EP-2886534-A1 Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R-Tech Ueno, Ltd. (JP) 2015-06-24 — — EP disclosed
US-20150166525-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R TECH UENO LTD (JP) 2015-06-18 — — US disclosed
US-20150166525-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R TECH UENO LTD (JP) 2015-06-18 — — US disclosed
US-8999989-B2 Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2015-04-07 — — US disclosed
US-8999989-B2 Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2015-04-07 — — US disclosed
CN-102046601-B Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R TECH UENO LTD 2014-08-27 — — CN disclosed
CN-102046601-A Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R TECH UENO LTD 2011-05-04 — — CN disclosed
US-20110059957-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2011-03-10 — — US disclosed
US-20110059957-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2011-03-10 — — 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 (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-20150166525-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR VAPB, VAPA, BET1 AOC3 438/4885WNT3A 2931/4885RORC 2493/4885
US-20110059957-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR VAPB, VAPA, BET1 AOC3 438/4885WNT3A 2931/4885RORC 2493/4885

“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.

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