SCHEMBL232871

SCHEMBL232871

O=C(O)c1c[c]ccc1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
ALOX15 P16050 1/20 0.37
CYP1A2 P05177 1/20 0.37
AKR1C3 P42330 3/20 0.36
AKR1C4 P17516 2/20 0.36
AKR1C2 P52895 2/20 0.36
AKR1C1 Q04828 2/20 0.36
KDM4E B2RXH2 2/20 0.35
GLA P06280 1/20 0.35
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
PTPN1 P18031 3/20 0.34
PRNP P04156 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN6 P29350 1/20 0.34
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33

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
SCHEMBL7526374 0.83 ALDH1A1 (0.37) ALDH1A1ALOX15CYP1A2AKR1C3AKR1C4
SCHEMBL27339754 0.81 ALDH1A1 (0.32) ALDH1A1HPGDSMN1; SMN2
SCHEMBL5777262 0.81 ERN1 (0.38) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL490677 0.79 ALDH1A1 (0.48) ALDH1A1ALOX15CYP1A2AKR1C3KDM4E
SCHEMBL5120316 0.76 TSHR (0.40) ALDH1A1CYP1A2KDM4EGLATSHR
SCHEMBL3181993 0.76 ALDH1A1 (0.48) ALDH1A1ALOX15CYP1A2KDM4EPTPN1
SCHEMBL2553639 0.76 ALDH1A1 (0.42) ALDH1A1ALOX15CYP1A2KDM4EHSD17B10
SCHEMBL1196449 0.74 KDM4E (0.47) ALDH1A1ALOX15CYP1A2KDM4EGLA
SCHEMBL730792 0.74 ALB (0.41) ALDH1A1ALOX15CYP1A2AKR1C2AKR1C1
SCHEMBL443557 0.74 ALDH1A1 (0.50) ALDH1A1ALOX15CYP1A2AKR1C3AKR1C4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104379560-A Benzamide derivative CHUGAI PHARMACEUTICAL CO LTD 2015-02-25 CN disclosed
US-8642777-B2 Process for producing 3-alkoxy-2-amino-6-fluorobicyclo [3.1.0] hexane-2,6-dicarboxylic acid derivative and intermediate thereof TAISHO PHARMACEUTICAL CO., LTD (JP) 2014-02-04 US disclosed
US-8350060-B2 2-amino-bicyclo[3.1.0] hexane-2, 6-dicarboxylic ester derivative Taisho Pharamceutical Co., Ltd. (JP) 2013-01-08 US disclosed
EP-2502903-A1 PROCESS FOR PRODUCING 3-ALKOXY-2-AMINO-6-FLUOROBICYCLO[3.1.0]HEXANE-2,6-DICARBOXYLIC ACID DERIVATIVE AND INTERMEDIATE THEREOF Taisho Pharmaceutical Co., Ltd. (JP) 2012-09-26 EP disclosed
US-20120238763-A1 PROCESS FOR PRODUCING 3-ALKOXY-2-AMINO-6-FLUOROBICYCLO [3.1.0] HEXANE-2,6-DICARBOXYLIC ACID DERIVATIVE AND INTERMEDIATE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-09-20 US disclosed
US-8258133-B2 2-amino-bicyclo[3.1.0]hexane-2, 6-dicarboxylic ester derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-09-04 US disclosed
US-20120028982-A1 2-AMINO-BICYCLO[3.1.0]HEXANE-2, 6-DICARBOXYLIC ESTER DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-02-02 US disclosed
US-20120004232-A1 2-AMINO-BICYCLO(3.1.0) HEXANE-2, 6-DICARBOXYLIC ESTER DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-05 US disclosed
US-8076502-B2 2-amino-bicyclo(3.1.0) hexane-2,6-dicarboxylic ester derivative TAISHO PHARMACEUTICALS CO., LTD. (JP) 2011-12-13 US disclosed
US-8039647-B2 2-amino-bicyclo (3.1.0) hexane-2,6-dicarboxylic ester derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-10-18 US disclosed
US-20090306408-A1 2-Amino-Bicyclo (3.1.0) Hexane-2,6-Dicarboxylic Ester Derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-12-10 US disclosed
EP-2123630-A1 2-Amino-bicyclo[3.1.0]hexane-2,6-dicarboxylic ester derivative Taisho Pharmaceutical Co. Ltd. (JP) 2009-11-25 EP disclosed
EP-1459765-B1 6-FLUOROBICYCLO 3.1.0 HEXANE DERIVATIVES TAISHO PHARMACEUTICAL CO LTD (JP) 2008-08-20 EP disclosed
US-20070021394-A1 2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylic ester derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-01-25 US disclosed
US-7157594-B2 6-Fluorobicyclo[3.1.0]hexane derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
EP-1637517-A1 2-AMINOBICYCLO 3.1.0 HEXANE-2,6-DICARBOXYLIC ESTER DERIVATIVE Taisho Pharmaceutical Co. Ltd. (JP) 2006-03-22 EP disclosed
US-20050119345-A1 6-Fluorobicyclo[3.1.0]hexane derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-06-02 US disclosed
EP-1459765-A1 6-FLUOROBICYCLO 3.1.0 HEXANE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD (JP) 2004-09-22 EP disclosed
WO-2002005616-A1 NOVEL 6-PHENYLPHENANTHRIDINES ALTANA PHARMA AG (DE) 2002-01-24 WO disclosed
WO-1998043649-A2 AGE PRODUCTION INHIBITORY COMPOSITION COMPRISING A MAILLARD REACTION INHIBITOR AND VITAMIN B¿6? OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-10-08 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 (6 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-20050119345-A1 6-Fluorobicyclo[3.1.0]hexane derivatives GRM1, GRM2, GRM6 ALDH1A1 531/4885ALOX15 1308/4885CYP1A2 1618/4885
US-20090306408-A1 2-Amino-Bicyclo (3.1.0) Hexane-2,6-Dicarboxylic Ester Derivative GRIK4, GRIN2D, GRIN2C ALDH1A1 720/4885ALOX15 1304/4885CYP1A2 1040/4885
US-20070021394-A1 2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylic ester derivative GRIN2C, GRIK4, GRIN2B ALDH1A1 479/4885ALOX15 1284/4885CYP1A2 892/4885
US-20120028982-A1 2-AMINO-BICYCLO[3.1.0]HEXANE-2, 6-DICARBOXYLIC ESTER DERIVATIVE GRIK4, GRIN2D, GRIN2C ALDH1A1 639/4885ALOX15 1280/4885CYP1A2 993/4885
US-20120238763-A1 PROCESS FOR PRODUCING 3-ALKOXY-2-AMINO-6-FLUOROBICYCLO [3.1.0] HEXANE-2,6-DICARBOXYLIC ACID DERIVATIVE AND INTERMEDIATE THEREOF ALAD, DDC, ALDH7A1 ALDH1A1 99/4885ALOX15 150/4885CYP1A2 290/4885
US-20120004232-A1 2-AMINO-BICYCLO(3.1.0) HEXANE-2, 6-DICARBOXYLIC ESTER DERIVATIVE GRIK4, GRIN2D, GRIN2C ALDH1A1 720/4885ALOX15 1304/4885CYP1A2 1040/4885

“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.