SCHEMBL6890949

SCHEMBL6890949

Cc1ccc(OC(=O)OC(C)I)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.47
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 2/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
PABPC1 P11940 1/20 0.36
EIF4H Q15056 1/20 0.36
TSHR P16473 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36

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
SCHEMBL6890813 0.87 TSHR (0.43) CYP1A2CYP2C9SMN1; SMN2LMNAGAA
SCHEMBL37754 0.82 L3MBTL1 (0.53) L3MBTL1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL1598721 0.81 L3MBTL1 (0.56) L3MBTL1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL6895797 0.81 MAPT (0.42) MAPTCYP3A4NPSR1ALDH1A1MEN1
SCHEMBL6892954 0.80 TDP1 (0.44) L3MBTL1CYP1A2ALDH1A1SMN1; SMN2HPGD
SCHEMBL10958401 0.79 L3MBTL1 (0.50) L3MBTL1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL6893753 0.78 MEN1 (0.32) L3MBTL1MAPTNPSR1ALDH1A1MEN1
SCHEMBL11714902 0.76 L3MBTL1 (0.59) L3MBTL1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL21483407 0.76 L3MBTL1 (0.51) L3MBTL1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL6895467 0.76 LMNA (0.52) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1

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 L3MBTL1 2671/4885MAPT 4427/4885CYP1A2 2616/4885

“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.