SCHEMBL6890875

SCHEMBL6890875

COc1ccc(OC(=O)OC(C)I)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
RAB9A P51151 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
NPC1 O15118 2/20 0.45
CYP2D6 P10635 1/20 0.45
HPGD P15428 1/20 0.45
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
CA1 P00915 5/20 0.42
CA2 P00918 5/20 0.42
LMNA P02545 2/20 0.42
PARP1 P09874 1/20 0.41
PARP10 Q53GL7 1/20 0.41

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
SCHEMBL6895467 0.85 LMNA (0.52) CYP1A2CYP2C9CYP2C19LMNAGAA
SCHEMBL12220708 0.85 SMN1; SMN2 (0.56) SMN1; SMN2RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL6895672 0.83 ALDH1A1 (0.42) RAB9ANPC1HPGDMTNR1AMTNR1B
SCHEMBL6891334 0.83 MTNR1B (0.49) CES2CES1MTNR1AMTNR1BLMNA
SCHEMBL6895800 0.81 RAB9A (0.45) SMN1; SMN2RAB9ACYP1A2CYP2C19NPC1
SCHEMBL6887018 0.81 MAPT (0.49) SMN1; SMN2RAB9ANPC1CYP2D6CA1
SCHEMBL697317 0.80 CA1 (0.56) SMN1; SMN2RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL1398350 0.80 CES2 (0.58) SMN1; SMN2RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL15987227 0.79 SMN1; SMN2 (0.42) SMN1; SMN2RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL2233306 0.78 HTR2A (0.54) SMN1; SMN2RAB9ANPC1LMNAGAA

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 SMN1; SMN2 2954/4885RAB9A 1538/4885CYP1A2 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.