SCHEMBL4140814

SCHEMBL4140814

O=C(O)c1ccc(-c2cccc(CO)c2)cc1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.73
ACMSD Q8TDX5 1/20 0.64
AOC3 Q16853 2/20 0.57
TSHR P16473 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
PRKCI P41743 1/20 0.56
TRIM24 O15164 1/20 0.56
TRIM33 Q9UPN9 1/20 0.56
RXRA P19793 4/20 0.54
RXRB P28702 4/20 0.54
PTGER4 P35408 1/20 0.54
SRD5A2 P31213 1/20 0.54
RXRG P48443 1/20 0.54
KMO O15229 1/20 0.52
EGFR P00533 1/20 0.51

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
SCHEMBL29784246 1.00 BCL2 (0.73) BCL2ACMSDAOC3TSHRSMN1; SMN2
SCHEMBL5519447 0.87 KMO (0.63) BCL2ACMSDPRKCIRXRARXRB
SCHEMBL3208925 0.85 BCL2 (0.55) BCL2ACMSDAOC3TSHRSMN1; SMN2
SCHEMBL14496864 0.84 BCL2 (0.71) BCL2AOC3TRIM24TRIM33RXRA
SCHEMBL12894973 0.84 BCL2 (1.00) BCL2AOC3TRIM24TRIM33RXRA
Hydrochloric Acid SCHEMBL5548244 0.83 BCL2 (0.69) BCL2AOC3TRIM24TRIM33RXRA
SCHEMBL30108284 0.82 PRKCI (0.70) BCL2ACMSDAOC3TSHRPRKCI
SCHEMBL30066684 0.82 KMO (0.72) BCL2ACMSDTSHRTRIM24TRIM33
SCHEMBL249824 0.82 PRKCI (0.70) BCL2ACMSDAOC3TSHRPRKCI
SCHEMBL16166011 0.82 KMO (0.72) BCL2ACMSDTSHRTRIM24TRIM33

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-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AG (DE) 2009-01-22 US claimed
US-11390610-B2 Piperazine derivatives as MAGL inhibitors HOFFMANN-LA ROCHE INC. (US) 2022-07-19 US disclosed
EP-3694840-B1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS HOFFMANN LA ROCHE (CH) 2021-08-04 EP disclosed
US-20200299277-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2020-09-24 US disclosed
US-9815849-B2 Compositions and methods for treating leukemia DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-11-14 US disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US disclosed
US-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AG (DE) 2009-01-22 US disclosed
EP-1820795-A1 NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2007-08-22 EP 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 (4 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-11390610-B2 Piperazine derivatives as MAGL inhibitors MAGI3, PYM1, MAG BCL2 3819/4885ACMSD 3684/4885AOC3 2139/4885
US-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR PTGER2, PTGER1, PTGDR2 BCL2 2466/4885ACMSD 3054/4885AOC3 2841/4885
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN1A, SCN2B BCL2 2542/4885ACMSD 1112/4885AOC3 1045/4885
US-20200299277-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS MAGI3, PYM1, MAG BCL2 3819/4885ACMSD 3684/4885AOC3 2139/4885

“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.