SCHEMBL2320144

SCHEMBL2320144

Cc1ccc(S(=O)(=O)n2c(-c3ccc(C(C)(C)O)cc3)cc3c4c(cnc32)cnn4C)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 5/20 0.33
▸ PTGS1 P23219 2/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ LATS1 O95835 1/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ SYK P43405 1/20 0.32
▸ CYP2C9 P11712 2/20 0.31
▸ TNKS O95271 2/20 0.31
▸ TNKS2 Q9H2K2 2/20 0.31
▸ PDPK1 O15530 2/20 0.31
▸ CA1 P00915 2/20 0.31
▸ CA2 P00918 2/20 0.31
▸ CA9 Q16790 2/20 0.31
▸ PTGES O14684 1/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ PDE5A O76074 1/20 0.31
▸ ABCB11 O95342 1/20 0.31
▸ MT-CO2 P00403 1/20 0.31

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
SCHEMBL2320310 0.86 LATS1 (0.37) PTGS2PTGS1PTGDR2LATS1LMNA
SCHEMBL2319349 0.86 MAPT (0.41) PTGS2PTGS1PTGDR2LMNATSHR
SCHEMBL1933394 0.85 PCSK9 (0.34) PTGDR2CYP11B1CYP11B2LMNA
SCHEMBL2319888 0.83 PTPN11 (0.34) PTGS2PTGS1PTGDR2LATS1LMNA
SCHEMBL2319238 0.82 CYP11B1 (0.39) PTGS2PTGS1PTGDR2LATS1CYP11B1
SCHEMBL2315328 0.81 EED (0.36) LMNAALDH3A1
SCHEMBL2315157 0.81 LMNA (0.37) PTGS2PTGS1PTGDR2LATS1LMNA
SCHEMBL4357924 0.81 ACVR1 (0.38) PTGS2PTGS1PTGDR2CYP2C9KCNH2
SCHEMBL2315165 0.81 ALDH1A1 (0.41) PTGDR2LATS1LMNAPDE4DALDH3A1
SCHEMBL2318264 0.81 ACLY (0.40) PTGDR2CYP2C9LMNACYP3A4PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2014-11-27 — — US disclosed
US-8785639-B2 Substituted dihydropyrazolo[3,4-D]pyrrolo[2,3-B]pyridines and methods of use thereof ABBVIE INC. (US) 2014-07-22 — — US disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 — — 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-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS CCNI, IL2, IL4I1 PTGS2 167/4885PTGS1 162/4885PTGDR2 237/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 PTGS2 167/4885PTGS1 162/4885PTGDR2 237/4885

“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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