SCHEMBL2318264

SCHEMBL2318264

Cc1ccc(S(=O)(=O)n2c(-c3cccc(C(=O)O)c3)cc3c4c(cnc32)cnn4C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 2/20 0.40
AGTR1 P30556 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTPN11 Q06124 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35
KDM4C Q9H3R0 2/20 0.35
KDM5A P29375 1/20 0.35

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
SCHEMBL2317016 0.88 L3MBTL1 (0.40) CYP3A4MEN1KMT2APOLB
SCHEMBL2319064 0.87 PTGDR2 (0.44) AGTR1PTGDR2PSEN1PSEN2APH1B
SCHEMBL2315157 0.86 LMNA (0.37) PTGDR2CYP3A4LMNAMAPTKMT2A
SCHEMBL4357924 0.86 ACVR1 (0.38) PTGDR2CYP2C9NR1H2NR1H3
SCHEMBL16245121 0.85 MAOA (0.39) CYP3A4CYP2C9LMNA
SCHEMBL2319254 0.84 KDM4E (0.39) LMNAMAPTRAB9AALDH1A1POLB
SCHEMBL2321809 0.84 ALDH1A1 (0.41) PTGDR2MEN1NPC1LMNAMAPT
SCHEMBL2316160 0.84 SYK (0.36) PTGDR2MAPTSMN1; SMN2NR1H2
SCHEMBL2319238 0.83 CYP11B1 (0.39) PTGDR2CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL2317428 0.83 PTGDR2 (0.36) AGTR1PTGDR2LMNAMAPTIKBKB

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 11 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-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2014-11-27 US disclosed
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-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-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
CN-102711470-A Novel tricyclic compounds ABBOTT LAB 2012-10-03 CN disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 US disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 US disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 US disclosed
WO-2011068899-A1 NOVEL TRICYCLIC COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-09 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-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS CCNI, IL2, IL4I1 ACLY 1866/4885AGTR1 645/4885PTGDR2 237/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 ACLY 1866/4885AGTR1 645/4885PTGDR2 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.