SCHEMBL538854

SCHEMBL538854

[N]OCCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
IDO1 P14902 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
CASP1 P29466 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TDP1 Q9NUW8 3/20 0.46
CYP2A6 P11509 1/20 0.46
HTR2A P28223 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
HCAR2 Q8TDS4 1/20 0.42
MAOA P21397 1/20 0.42

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
SCHEMBL6964735 0.85 IDO1 (0.61) IDO1NPC1RAB9AHTR2ASMN1; SMN2
SCHEMBL8477338 0.83 IDO1 (0.54) IDO1TDP1MAOAMAOBFFAR1
SCHEMBL8193803 0.81 SIGMAR1 (0.52) IDO1TDP1MAOAMAOB
SCHEMBL6341147 0.78 ALDH1A1 (0.52) CA1CA2CA9IDO1ALDH1A1
SCHEMBL198134 0.78 TSHR (0.52) CA1CA2CA9IDO1ALDH1A1
SCHEMBL4823765 0.76 ALDH1A1 (0.65) CA1CA2ALDH1A1HPGDALOX15
SCHEMBL7038839 0.76 CA1 (0.50) CA1CA2CA9IDO1ALDH1A1
SCHEMBL21987926 0.76 ALDH1A1 (0.50) CA1CA2CA9IDO1ALDH1A1
SCHEMBL523683 0.74 CA1 (0.48) CA1CA2CA9IDO1ALDH1A1
SCHEMBL538855 0.74 IDO1 (0.74) CA1CA2CA9IDO1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1854877-B1 Process for the deacylation of cyclic lipopeptides ASTELLAS PHARMA INC (JP) 2012-02-08 EP disclosed
EP-2172546-A1 Process for the deacylation of cyclic lipopeptides Astellas Pharma Inc. (JP) 2010-04-07 EP disclosed
EP-0885957-B1 PROCESS FOR THE DEACYLATION OF CYCLIC LIPOPEPTIDES ASTELLAS PHARMA INC (JP) 2009-08-12 EP disclosed
EP-1854877-A2 Process for the deacylation of cyclic lipopeptides Astellas Pharma Inc. (JP) 2007-11-14 EP disclosed
EP-1666587-A1 Cyclic lipopeptide acylase Astellas Pharma Inc. (JP) 2006-06-07 EP disclosed
US-6825003-B2 Cyclic lipopeptide acylase FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-30 US disclosed
US-20040063959-A1 Esters and amides as PLA2 inhibitors FUKAMI NAOKI (JP) 2004-04-01 US disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed
US-6573084-B1 Culture of Streptomyces anulatus 4811 (FERM BP-5808); deacylation of the lipid acyl moiety of FR-901379, Echinocandin B, and Aculeacin A FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-03 US disclosed
US-6537789-B1 Using isolated acylase enzyme obtained from Streptomyces FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-25 US disclosed
US-5376634-A Microbiocides FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-12-27 US disclosed
EP-0486011-A2 Pharmaceutical composition against Pneumocystis carinii FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-05-20 EP disclosed
EP-0462531-A2 Cyclic polypeptide with antibiotic activity, process for its preparation and pure culture of a Coelomycetes strain FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-27 EP disclosed
US-4411898-A CEPHALOSPORIN ANTIBACTERIAL AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-10-25 US disclosed
US-4288436-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-09-08 US disclosed
US-4264498-A REACTED WITH AN ACID, ITS ACID HALIDE, OR ANHYDRIDE IN THE PRESENCE OF BORON TRIHALIDE AND AN ORGANIC BASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-04-28 US disclosed
US-4045485-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC AND ANTIPRURITIC ACTIVITY SYNTEX CORPORATION (US) 1977-08-30 US disclosed
US-3960936-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS, SKIN DISORDERS SYNTEX CORPORATION (PM) 1976-06-01 US disclosed
US-3947472-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (PM) 1976-03-30 US disclosed
US-3935273-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (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 (1 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-20040063959-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B CA1 2060/4885CA2 450/4885CA9 1371/4885

“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.