SCHEMBL277473

SCHEMBL277473

CCOC(=O)c1ccc(Br)c(C(=O)OCC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.57
CA1 P00915 5/20 0.57
CA2 P00918 5/20 0.57
CA7 P43166 5/20 0.57
CA9 Q16790 5/20 0.57
CA14 Q9ULX7 5/20 0.57
ESR1 P03372 2/20 0.53
ESR2 Q92731 1/20 0.53
TSHR P16473 1/20 0.52
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAOA P21397 1/20 0.51
HSD17B2 P37059 1/20 0.51
HCRTR1 O43613 2/20 0.48
KDM4E B2RXH2 3/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL2821387 0.90 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL2994444 0.86 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL22468902 0.86 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL1814266 0.84 TSHR (0.53) CA12CA1CA2CA7CA9
SCHEMBL31700926 0.84 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL17022287 0.84 ALDH1A1 (0.55) CA12CA1CA2CA7CA9
SCHEMBL137202 0.84 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL30294343 0.84 TSHR (0.53) CA12CA1CA2CA7CA9
SCHEMBL29843135 0.84 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL321387 0.84 CA12 (0.62) CA12CA1CA2CA7CA9

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016184652-A9 METHODS FOR PRODUCING METALATED ORGANIC COMPOUNDS LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) 2017-08-10 WO disclosed
WO-2016184652-A1 METHODS FOR PRODUCING METALATED ORGANIC COMPOUNDS LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) 2016-11-24 WO disclosed
EP-2360161-B1 Preparation and use of magnesium amides MUNICHEM GMBH (DE) 2016-08-31 EP disclosed
US-8513416-B2 Bisamide-zinc bases LUDWIG-MAXIMILIANS-UNIVERSITAT MUENCHEN (DE) 2013-08-20 US disclosed
US-8513416-B2 Bisamide-zinc bases LUDWIG-MAXIMILIANS-UNIVERSITAT MUENCHEN (DE) 2013-08-20 US disclosed
US-8134005-B2 Preparation and use of magnesium amides Ludwig-Maximilians-Universitat München (DE) 2012-03-13 US disclosed
US-8076348-B2 Acylguanidine derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-12-13 US disclosed
EP-1923387-B1 ACYLGUANIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2011-10-19 EP disclosed
US-20100168096-A1 ACYLGUANIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-07-01 US disclosed
US-20100160632-A1 BISAMID-ZINKBASEN LUDWIG MAXIMILIANS UNIVERSITAT MUNCHEN 2010-06-24 US disclosed
EP-0442748-B1 Improvements in and relating to leukotriene antagonists LILLY CO ELI (US) 1995-01-11 EP disclosed
EP-0442748-A1 Improvements in and relating to leukotriene antagonists ELI LILLY AND COMPANY (US) 1991-08-21 EP disclosed
US-4996230-A Antiallergens, antiinflammatory agent ELI LILLY AND COMPANY (US) 1991-02-26 US disclosed
US-3989721-A Disubstituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-11-02 US disclosed
US-3989720-A Disubstituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-11-02 US disclosed
US-3988352-A Disubstituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-10-26 US disclosed
US-3979414-A Disubstituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-09-07 US disclosed
US-3965115-A Disubstituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-06-22 US disclosed
US-3963752-A Disubstituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-06-15 US disclosed
US-3951618-A Method of use of, and compositions containing, disubstituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-04-20 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-20100160632-A1 BISAMID-ZINKBASEN ZFX, ZRANB2, MLX CA12 318/4885CA1 1208/4885CA2 370/4885
US-20100168096-A1 ACYLGUANIDINE DERIVATIVE OR SALT THEREOF HTR2B, HTR7, HTR3B CA12 2807/4885CA1 3037/4885CA2 1141/4885

“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.