SCHEMBL5121065

SCHEMBL5121065

COc1ccc(CCCC(=O)Cl)cc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.66
F2RL1 P55085 1/20 0.59
CALM1 P0DP23 1/20 0.58
ALDH1A1 P00352 1/20 0.56
POLB P06746 1/20 0.55
PLAAT3 P53816 1/20 0.54
PLAAT5 Q96KN8 1/20 0.54
PLAAT2 Q9NWW9 1/20 0.54
PLAAT4 Q9UL19 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
HPGD P15428 1/20 0.54
CYP2C19 P33261 1/20 0.54

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
SCHEMBL11830150 0.95 ALOX5 (0.59) ALOX5F2RL1CALM1ALDH1A1POLB
SCHEMBL9663990 0.93 ALOX5 (0.58) ALOX5F2RL1CALM1POLB
SCHEMBL925662 0.89 F2RL1 (0.68) ALOX5F2RL1CALM1ALDH1A1POLB
SCHEMBL1105476 0.84 ALOX5 (0.68) ALOX5F2RL1CALM1ALDH1A1POLB
SCHEMBL659052 0.84 ALOX5 (0.68) ALOX5F2RL1CALM1ALDH1A1POLB
SCHEMBL503646 0.84 ALOX5 (0.68) ALOX5F2RL1CALM1ALDH1A1PLAAT3
SCHEMBL6710455 0.82 ALOX5 (0.66) ALOX5F2RL1CALM1ALDH1A1POLB
SCHEMBL1274985 0.82 ALOX5 (0.66) ALOX5F2RL1CALM1ALDH1A1POLB
SCHEMBL7384569 0.81 ALOX5 (0.56) ALOX5F2RL1CALM1ALDH1A1POLB
SCHEMBL1239196 0.81 ALOX5 (0.64) ALOX5F2RL1CALM1ALDH1A1POLB

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459585-B2 Benzene derivatives and pharmaceutical use thereof AJINOMOTO CO., INC. (JP) 2008-12-02 US disclosed
US-20060194854-A1 New 2-substituted - 1,3-thiazole compounds ASTRAZENECA AB (SE) 2006-08-31 US disclosed
US-20050165114-A1 Benzene derivatives and pharmaceutical use thereof AJINOMOTO CO. INC (JP) 2005-07-28 US disclosed
US-20050119321-A1 2-substituted-1,3-thiazole compounds ASTRAZENECA AB (SE) 2005-06-02 US disclosed
EP-1499601-A1 NEW 2-SUBSTITUTED -1,3-THIAZOLE COMPOUNDS AstraZeneca AB (SE) 2005-01-26 EP disclosed
US-6703379-B2 ANTIINFLAMMATORY AGENT, IMMUNOSUPPRESSANT, ANTICANCER AGENTS, ANTIARTHRITIC AGENTS AJINOMOTO CO., INC. (JP) 2004-03-09 US disclosed
WO-2003089419-A1 NEW 2-SUBSTITUTED -1,3-THIAZOLE COMPOUNDS ASTRAZENECA AB (SE) 2003-10-30 WO disclosed
US-20030166693-A1 Benzene derivatives and pharmaceutical use thereof AJINOMOTO CO., INC (JP) 2003-09-04 US disclosed
US-20010018441-A1 Benzene derivatives and Pharmaceutical use thereof AJINOMOTO CO., INC. (JP) 2001-08-30 US disclosed
EP-1113000-A1 BENZENE DERIVATIVES AND MEDICINAL USE THEREOF Ajinomoto Co., Inc. (JP) 2001-07-04 EP disclosed
EP-0840606-B1 DI- AND TRIVALENT SMALL MOLECULE SELECTIN INHIBITORS TEXAS BIOTECHNOLOGY CORP (US) 2000-06-07 EP disclosed
US-5919768-A COMPOUNDS WHICH INHIBIT BINDING OF SELECTINS TO SIALYL-LEWIS-X AND SIALYL-LEWIS-A CARBOHYDRATES TEXAS BIOTECHNOLOGY CORPORATION (US) 1999-07-06 US disclosed
EP-0446047-B1 Benzisothiazolinone-1-dioxide derivatives as elastase inhibitors UNILEVER PLC (GB) 1997-06-11 EP disclosed
US-5411978-A Aging resistance, human skin CHESEBROUGH-POND'S USA CO., DIVISION OF CONOPCO, INC. (US) 1995-05-02 US disclosed
US-5338747-A Benzoisothiazolinone-1-dioxide derivatives as elastase inhibitors CHESEBROUGH-POND'S USA CO., DIVISION OF CONOPCO, INC. (US) 1994-08-16 US disclosed
US-5158970-A Prolylendopeplidase inhibitors; antiamnesia KABUSHIKI KAISHA YAKULT HONSHA (JP) 1992-10-27 US disclosed
CN-1056680-A The preparation method who can be used as the 2-phenylalkanoic acid esters of human leukocytes elastase inhibitor CORTECH INC (US) 1991-12-04 CN disclosed
EP-0446047-A1 Benzisothiazolinone-1-dioxide derivatives as elastase inhibitors UNILEVER PLC (GB) 1991-09-11 EP disclosed
EP-0384341-A2 New proline derivatives KABUSHIKI KAISHA YAKULT HONSHA (JP) 1990-08-29 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 (5 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-20030166693-A1 Benzene derivatives and pharmaceutical use thereof NFKBIA, VCAM1, NFKB1 ALOX5 444/4885F2RL1 818/4885CALM1 460/4885
US-20060194854-A1 New 2-substituted - 1,3-thiazole compounds NR3C2, NR4A2, NR0B1 ALOX5 2500/4885F2RL1 4654/4885CALM1 789/4885
US-20050119321-A1 2-substituted-1,3-thiazole compounds NR3C2, NR4A2, NR4A3 ALOX5 2530/4885F2RL1 4648/4885CALM1 1222/4885
US-20050165114-A1 Benzene derivatives and pharmaceutical use thereof NFKBIA, VCAM1, NFKB1 ALOX5 362/4885F2RL1 803/4885CALM1 581/4885
US-20010018441-A1 Benzene derivatives and Pharmaceutical use thereof NFKBIA, VCAM1, NFKB1 ALOX5 444/4885F2RL1 818/4885CALM1 460/4885

“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.