SCHEMBL6895972

SCHEMBL6895972

CC(I)OC(=O)OC(C1CCCCC1)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.35
MMP2 P08253 3/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
HPGD P15428 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MMP1 P03956 2/20 0.32
MMP9 P14780 2/20 0.32
MMP14 P50281 2/20 0.32
OPRK1 P41145 1/20 0.32
MMP3 P08254 1/20 0.31
CTSK P43235 2/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
SCN1A P35498 1/20 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
SCHEMBL6896563 0.87 EPHX1 (0.36) EPHX1MMP2CA12CA1CA2
SCHEMBL20943419 0.86 EPHX1 (0.44) EPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL10890511 0.78 EPHX1 (0.41) EPHX1MMP2CA12CA1CA2
SCHEMBL6897189 0.76 EPHX1 (0.36) EPHX1MMP2CA12CA1CA2
SCHEMBL16622507 0.76 EPHX1 (0.42) EPHX1CA12CA1CA2CA9
SCHEMBL305826 0.76 EPHX1 (0.42) EPHX1CA12CA1CA2CA9
SCHEMBL9608683 0.75 EPHX1 (0.39) EPHX1MMP2CA12CA1CA2
SCHEMBL3815702 0.74 TSHR (0.38) TSHR
SCHEMBL6897192 0.74 ALDH1A1 (0.43) ATMTSHRNPSR1
SCHEMBL9609345 0.74 TSHR (0.44) EPHX1MMP2CA12CA1CA2

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 EPHX1 3016/4885MMP2 866/4885CA12 3300/4885

“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.