SCHEMBL5114151

SCHEMBL5114151

COc1ccc(SSc2ccc(OC)c(OC)c2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.52
CA12 O43570 3/20 0.52
CA1 P00915 3/20 0.52
CA7 P43166 3/20 0.52
CA9 Q16790 3/20 0.52
CA14 Q9ULX7 3/20 0.52
ACHE P22303 1/20 0.52
ALDH1A1 P00352 4/20 0.45
TSHR P16473 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
MAPT P10636 1/20 0.44
CA4 P22748 2/20 0.43
PDE4A P27815 1/20 0.43
NR3C1 P04150 1/20 0.43
CA6 P23280 1/20 0.43

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
SCHEMBL7859196 0.85 CA2 (0.52) CA2CA12CA1CA7CA9
SCHEMBL30832957 0.85 CA2 (0.52) CA2CA12CA1CA7CA9
SCHEMBL3511079 0.83 CYP1A1 (0.50) CA2CA12CA1CA7CA9
SCHEMBL5044907 0.81 CA2 (0.48) CA2CA12CA1CA7CA9
SCHEMBL3511078 0.81 CA2 (0.48) CA2CA12CA1CA7CA9
SCHEMBL6335640 0.81 CA2 (0.48) CA2CA12CA1CA7CA9
SCHEMBL7859198 0.81 CA2 (0.48) CA2CA12CA1CA7CA9
SCHEMBL19423123 0.81 CA2 (0.48) CA2CA12CA1CA7CA9
SCHEMBL1300438 0.79 ALDH1A1 (0.59) ALDH1A1TSHRCYP3A4POLBMAPK1
SCHEMBL2759472 0.79 AR (0.49) CA2CA12CA1CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017093543-A2 ANTI-BACTERIAL COMPOUNDS AUSPHERIX LIMITED (GB) 2017-06-08 WO disclosed
US-7410997-B2 Tricyclic fused heterocycle compounds, process for preparing the same and use thereof NIPPON SULSAN KAISHA, LTD. (JP) 2008-08-12 US disclosed
US-7410997-B2 Tricyclic fused heterocycle compounds, process for preparing the same and use thereof NIPPON SULSAN KAISHA, LTD. (JP) 2008-08-12 US disclosed
US-7410997-B2 Tricyclic fused heterocycle compounds, process for preparing the same and use thereof NIPPON SULSAN KAISHA, LTD. (JP) 2008-08-12 US disclosed
EP-1182200-B1 TRICYCLIC FUSED HETEROCYCLE COMPOUNDS, PROCESS FOR PREPARING THE SAME AND USE THEREOF NIPPON SUISAN KAISHA LTD (JP) 2005-08-31 EP disclosed
US-6900307-B1 2-aminopurine derivatives HISAMITSU PHARMACEUTICAL CO., INC. (JP) 2005-05-31 US disclosed
US-20040127713-A1 Tricyclic fused heterocycle compounds, process for preparing the same and use thereof NIPPON SUISAN KAISHA, LTD. 2004-07-01 US disclosed
US-6700013-B2 O-BROMOPHENYLACETIC ACID DERIVATIVE CHEMICAL INTERMEDIATE; SMOOTH MUSCLE RELAXANTS, ANTIINFLAMMATORY AGENTS; RESPIRATORY SYSTEM DISORDERS NIPPON SUISAN KAISHA, LTD. (JP) 2004-03-02 US disclosed
US-20030220360-A1 Tricyclic fused heterocycle compounds, process for preparing the same and use thereof NIPPON SUISAN KAISHA, LTD., A JAPAN CORPORATION 2003-11-27 US disclosed
US-6602898-B1 Tricyclic fused heterocycle compounds, process for preparing the same and use thereof NIPPON SUISAN KAISHA, LTD. (JP) 2003-08-05 US disclosed
EP-1236736-A1 2-AMINOPURINE DERIVATIVES HISAMITSU PHARMACEUTICAL CO. INC. (JP) 2002-09-04 EP disclosed
EP-1182200-A9 TRICYCLIC FUSED HETEROCYCLE COMPOUNDS, PROCESS FOR PREPARING THE SAME AND USE THEREOF Nippon Suisan Kaisha, Ltd. (JP) 2002-05-22 EP disclosed
EP-1182200-A1 TRICYCLIC FUSED HETEROCYCLE COMPOUNDS, PROCESS FOR PREPARING THE SAME AND USE THEREOF Nippon Suisan Kaisha, Ltd. (JP) 2002-02-27 EP disclosed
WO-1997042168-A1 THIO DERIVATIVES OF HYDROXAMIC ACIDS ZENECA LIMITED (GB) 1997-11-13 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 (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-20030220360-A1 Tricyclic fused heterocycle compounds, process for preparing the same and use thereof HRH2, HRH1, HRH4 CA2 249/4885CA12 1210/4885CA1 603/4885
US-20040127713-A1 Tricyclic fused heterocycle compounds, process for preparing the same and use thereof HRH2, HRH1, HRH4 CA2 249/4885CA12 1210/4885CA1 603/4885

“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.