SCHEMBL6891334

SCHEMBL6891334

COc1cccc(OC(=O)OC(C)I)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 11/20 0.49
MTNR1A P48039 10/20 0.49
LMNA P02545 1/20 0.49
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
PARP1 P09874 1/20 0.44
ACACB O00763 1/20 0.43
PRSS1 P07477 1/20 0.43
ACR P10323 1/20 0.43
BCHE P06276 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL15967544 0.84 MTNR1B (0.49) MTNR1BMTNR1ALMNACES2CES1
SCHEMBL6890520 0.84 LMNA (0.57) LMNABCHEMEN1KMT2A
SCHEMBL6890875 0.83 SMN1; SMN2 (0.45) MTNR1BMTNR1ALMNACES2CES1
SCHEMBL13135118 0.83 MTNR1B (0.57) MTNR1BMTNR1ALMNACES2CES1
SCHEMBL30463307 0.82 CES2 (0.59) MTNR1BMTNR1ALMNACES2CES1
SCHEMBL8048513 0.82 CES2 (0.59) MTNR1BMTNR1ALMNACES2CES1
SCHEMBL15987229 0.81 MTNR1B (0.47) MTNR1BMTNR1ALMNACES2CES1
SCHEMBL6895672 0.81 ALDH1A1 (0.42) MTNR1BMTNR1ALMNAMEN1KMT2A
SCHEMBL15987278 0.80 MTNR1B (0.46) MTNR1BMTNR1ALMNACES2CES1
SCHEMBL15967555 0.80 MTNR1B (0.46) MTNR1BMTNR1ALMNACES2CES1

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 MTNR1B 3018/4885MTNR1A 1971/4885LMNA 2043/4885

“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.