SCHEMBL305973

SCHEMBL305973

CCOC(=O)C(Br)CCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
MAPT P10636 1/20 0.50
MMP8 P22894 1/20 0.48
TSHR P16473 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
PIN1 Q13526 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
TDP1 Q9NUW8 1/20 0.45
NPC1 O15118 1/20 0.45
ABCB1 P08183 1/20 0.45
LMNA P02545 2/20 0.44
POLB P06746 2/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL10523780 1.00 SMN1; SMN2 (0.55) SMN1; SMN2MAPTMMP8TSHRMEN1
SCHEMBL9530414 0.89 SMN1; SMN2 (0.48) SMN1; SMN2MAPTMMP8TDP1LMNA
SCHEMBL1421006 0.86 SMN1; SMN2 (0.58) SMN1; SMN2MAPTTSHRMEN1KMT2A
SCHEMBL3507308 0.85 TSHR (0.50) SMN1; SMN2MAPTTSHRMEN1KMT2A
SCHEMBL27492502 0.85 SMN1; SMN2 (0.56) SMN1; SMN2MAPTMMP8TSHRMEN1
SCHEMBL7437317 0.85 ALDH1A1 (0.50) SMN1; SMN2TSHRKMT2AALDH1A1L3MBTL1
SCHEMBL7265343 0.84 TSHR (0.54) TSHRMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL2340596 0.83 MMP8 (0.58) SMN1; SMN2MAPTMMP8TSHRMEN1
SCHEMBL18065697 0.83 SMN1; SMN2 (0.57) SMN1; SMN2MAPTMMP8TSHRMEN1
SCHEMBL935980 0.83 TDP1 (0.59) SMN1; SMN2MAPTMMP8TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1121297-A None JP disclosed
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS MEIJI SEIKA KAISHA (JP) 2016-06-02 US disclosed
US-9260375-B2 Metallo-β-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2016-02-16 US disclosed
CN-102964239-B metal-beta-lactamase inhibitor MEIJI SEIKA PHARMA CO., LTD. (JP) 2016-01-20 CN disclosed
CN-101267815-B metallo-beta-lactamase inhibitors MEIJI SEIKA PHARMA CO LTD 2013-11-06 CN disclosed
CN-102964239-A Metallo-beta-lactamase inhibitor MEIJI SEIKA KAISHA 2013-03-13 CN disclosed
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS CHIKAUCHI KEN (JP) 2012-03-22 US disclosed
US-8093294-B2 Bacterial infections; effective for recovering the activities of beta-lactam antibiotics; 2-ethyl-3-methylmaleic acid dimethyl ester; maleic acid derivatives and/or dihydrofuranyl derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2012-01-10 US disclosed
EP-2324028-A2 THERAPEUTIC AGENTS 414 AstraZeneca AB (SE) 2011-05-25 EP disclosed
EP-0096157-A2 Substituted acyl derivatives of 1,2,3,4-tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylic acid WARNER-LAMBERT COMPANY (US) 1983-12-21 EP disclosed
EP-0095163-A2 2-Oxo-imidazolidine compounds, a process for preparing the same and a pharmaceutical composition Tanabe Seiyaku Co., Ltd. (JP) 1983-11-30 EP disclosed
US-4410520-A ANGIOTENSION CONVERTING ENZYME INGIBITOR, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1983-10-18 US disclosed
EP-0088350-A1 Carboxyalkyl dipeptides, processes for their production and pharmaceutical compositions containing them SCHERING CORPORATION (US) 1983-09-14 EP disclosed
EP-0088342-A1 Substituted acyl derivatives of octahydro-1H-indole-2-carboxylic acids WARNER-LAMBERT COMPANY (US) 1983-09-14 EP disclosed
EP-0088341-A1 Substituted acyl derivative of octahydro-1H-indole-2-carboxylic acid WARNER-LAMBERT COMPANY (US) 1983-09-14 EP disclosed
US-4350704-A HYPOTENSIVE AGENTS WARNER-LAMBERT COMPANY (US) 1982-09-21 US disclosed
US-4344949-A Substituted acyl derivatives of 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acids WARNER-LAMBERT COMPANY (US) 1982-08-17 US disclosed
EP-0049605-A1 Substituted acyl derivatives of 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acids, salts thereof, pharmaceutical compositions containing the derivatives or salts, and the production of the same WARNER-LAMBERT COMPANY (US) 1982-04-14 EP disclosed
EP-0037231-A2 Substituted acyl derivatives of octahydro-1H-indole-2-carboxylic acids WARNER-LAMBERT COMPANY (US) 1981-10-07 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 (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-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA SMN1; SMN2 2666/4885MAPT 2687/4885MMP8 177/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA SMN1; SMN2 2687/4885MAPT 2972/4885MMP8 203/4885

“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.