SCHEMBL6894898

SCHEMBL6894898

CCC(Cl)OC(=O)OCCC(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
MAPK1 P28482 3/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP19A1 P11511 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
LMNA P02545 1/20 0.35
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
PPARG P37231 1/20 0.32
CHRNB2 P17787 3/20 0.31
CHRNA4 P43681 3/20 0.31
CHRNB4 P30926 2/20 0.31

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
SCHEMBL21343092 0.82 HCAR2 (0.35) ALDH1A1KDM4ECA1CA2TDP1
SCHEMBL10663711 0.82 CA1 (0.41) PKMALDH1A1KDM4EGAAKMT2A
SCHEMBL2986574 0.81 CA1 (0.39) PKMALDH1A1KDM4EGAAKMT2A
SCHEMBL2990036 0.81 CA1 (0.39) PKMALDH1A1KDM4EGAAKMT2A
SCHEMBL11144447 0.81 ALDH1A1 (0.31) ALDH1A1
SCHEMBL4438260 0.81 CA1 (0.39) PKMALDH1A1KDM4EGAAKMT2A
SCHEMBL38665267 0.79 ALDH1A1 (0.47) ALDH1A1CA1CA2MAPK1TDP1
SCHEMBL11251165 0.79 ALDH1A1 (0.30) ALDH1A1
SCHEMBL12712171 0.78 CA1 (0.43) PKMALDH1A1KDM4EGAAKMT2A
SCHEMBL11235344 0.78 ALDH1A1 (0.52) PKMALDH1A1KDM4EGAAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6677331-B2 HAVING SUBSTITUTED IMIDAZO(5,1-B)THIAZOLE GROUP AT 2-POSITION; MICROBIOCIDES AGAINST BETA-LACTAMASE PRODUCING BACTERIA AND RESISTANT PSEUDOMONAS MEIJI SEIKA KAISHA, LTD. (JP) 2004-01-13 US disclosed
US-20030149016-A1 Novel carbapenem derivatives KANO YUKO (JP) 2003-08-07 US disclosed
US-6458780-B1 IMIDAZO(5,1-B)THIAZOLE GROUP AT THE 2-POSITION ON THE CARBAPENEM RING HAVE HIGH ANTI-MICROBIAL ACTIVITIES AGAINST .BETA.-LACTAMASE PRODUCING BACTERIA, MRSA, RESISTANT-PSEUDOMONAS AERUGINOSA, PRSP, ENTEROCOCCI, AND MEIJI SEIKA KAISHA, LTD. (JP) 2002-10-01 US disclosed
EP-1101766-A1 NOVEL CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 2001-05-23 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 (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-20030149016-A1 Novel carbapenem derivatives DPEP1, TMPRSS15, STK35 PKM 1070/4885ALDH1A1 1161/4885KDM4E 1406/4885

“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.