SCHEMBL1585977

SCHEMBL1585977

O=C(Cl)C(=O)Cc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 3/20 0.73
▸ CES2 O00748 2/20 0.73
▸ FNTA P49354 2/20 0.59
▸ FNTB P49356 2/20 0.59
▸ AKR1B1 P15121 1/20 0.58
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ MAPK1 P28482 1/20 0.47
▸ CTBP2 P56545 1/20 0.47
▸ EPHX2 P34913 1/20 0.47
▸ PAM P19021 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ ABCC4 O15439 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ GAA P10253 1/20 0.45

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
SCHEMBL574185 0.85 CES1 (1.00) CES1CES2FNTAFNTBAKR1B1
Hydrochloric Acid SCHEMBL3111570 0.82 CES1 (0.94) CES1CES2FNTAFNTBAKR1B1
SCHEMBL1493 0.80 CES1 (0.64) CES1CES2FNTAFNTBAKR1B1
SCHEMBL27293995 0.80 CES1 (0.64) CES1CES2FNTAFNTBAKR1B1
Phenylpyruvate SCHEMBL28203540 0.80 CES1 (0.80) CES1CES2FNTAFNTBAKR1B1
SCHEMBL7003190 0.80 CES1 (0.80) CES1CES2FNTAFNTBAKR1B1
Phenylpyruvate SCHEMBL43235 0.80 CES1 (0.80) CES1CES2FNTAFNTBAKR1B1
SCHEMBL4646048 0.79 CES1 (0.77) CES1CES2FNTAFNTBAKR1B1
SCHEMBL10362571 0.79 CES1 (0.61) CES1CES2FNTAFNTBAKR1B1
Phenylpyruvate SCHEMBL9217988 0.78 CES1 (0.76) CES1CES2FNTAFNTBAKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6395894-B2 BACTERICIDES MERCK & CO., INC. 2002-05-28 — — US claimed
US-20010025103-A1 PROCESS FOR THE SYNTHESIS OF CARBAPENEM INTERMEDIATES, AND COMPOUNDS PRODUCED MERCK & CO., INC. 2001-09-27 — — US claimed
EP-1071685-A4 TITANIUM CATALYZED PREPARATION OF CARBAPENEM INTERMEDIATES MERCK & CO INC (US) 2001-07-18 — — EP claimed
EP-1071685-A1 TITANIUM CATALYZED PREPARATION OF CARBAPENEM INTERMEDIATES Merck & Co., Inc. (US) 2001-01-31 — — EP claimed
WO-1999052908-A1 TITANIUM CATALYZED PREPARATION OF CARBAPENEM INTERMEDIATES MERCK & CO., INC. (US) 1999-10-21 — — WO claimed
WO-2011048611-A1 NOVEL FUSED PYRIDAZINE DERIVATIVES TORRENT PHARMACEUTICALS LIMITED (IN) 2011-04-28 — — WO disclosed
CN-100374427-C Cyclic compound, process for producing the same, and pest control agent SUMITOMO CHEM TAKEDA AGRO CO (JP) 2008-03-12 — — CN disclosed
CN-101108830-A Cyclic compound, process for producing the same, and pest control agent SUMITOMO CHEM TAKEDA AGRO CO (JP) 2008-01-23 — — CN disclosed
CN-101003517-A Cyclic compound, process for producing the same, and pest control agent SUMITOMO CHEM TAKEDA AGRO CO (JP) 2007-07-25 — — CN disclosed
US-6972340-B2 Selective protein tyrosine phosphatatase inhibitors ABBOTT LABORATORIES (US) 2005-12-06 — — US disclosed
CN-1649850-A Cyclic compound, process for producing the same, and pest control agent SUMITOMO CHEM TAKEDA AGRO CO (JP) 2005-08-03 — — CN disclosed
US-20050159599-A1 Cyclic compound, process for producing the same, and pest control agent SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-07-21 — — US disclosed
US-4179511-A Antibacterial 3-(5-tetrazolyl) penam compounds PFIZER INC. (US) 1979-12-18 — — US disclosed
US-4143039-A ANTIBACTERIAL 3-(5-TETRAZOLYL)PENAM COMPOUNDS PFIZER INC. (US) 1979-03-06 — — US disclosed
US-4128646-A ANTIALLERGEN MITSUBISHI YUKA PHARMACEUTICAL CO., LTD. (JP) 1978-12-05 — — US disclosed
US-4115385-A PENICILLINS PFIZER INC. (US) 1978-09-19 — — US disclosed
US-3980660-A ANTIAUERGENS, ANAPHYLACTIC THE UPJOHN COMPANY (US) 1976-09-14 — — US disclosed
US-3972911-A PROPHYLAXIS THE UPJOHN COMPANY (US) 1976-08-03 — — US disclosed
US-3941821-A ANTIINFLAMMATORY, ANALGESICS, ANTIPYRETICS WILLIAM H. RORER, INC. (US) 1976-03-02 — — US disclosed
US-3935316-A Method of use and formulations THE UPJOHN COMPANY (US) 1976-01-27 — — 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-20010025103-A1 PROCESS FOR THE SYNTHESIS OF CARBAPENEM INTERMEDIATES, AND COMPOUNDS PRODUCED HAAO, HACL2, HAO2 CES1 1543/4885CES2 1741/4885FNTA 2640/4885
US-20050159599-A1 Cyclic compound, process for producing the same, and pest control agent CNPY2, CNPY3, HAX1 CES1 1401/4885CES2 1805/4885FNTA 1161/4885

“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.

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