SCHEMBL6890813

SCHEMBL6890813

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TDP1 Q9NUW8 2/20 0.41
GAA P10253 1/20 0.41
CYP2C9 P11712 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
TTR P02766 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C8 P10632 1/20 0.38
CHRM1 P11229 1/20 0.38
ADRA1A P35348 1/20 0.38
PPARG P37231 1/20 0.38
HTR2B P41595 1/20 0.38
PPARA Q07869 1/20 0.38
SLCO1B3 Q9NPD5 1/20 0.38
CISD1 Q9NZ45 1/20 0.38
SLCO1B1 Q9Y6L6 1/20 0.38
ACHE P22303 2/20 0.38

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
SCHEMBL6890949 0.87 L3MBTL1 (0.47) TSHRSMN1; SMN2GAACYP2C9LMNA
SCHEMBL21991785 0.87 TSHR (0.45) TSHRSMN1; SMN2TDP1GAACYP2C9
SCHEMBL6896154 0.84 TYR (0.49) ACHE
SCHEMBL10931521 0.82 TSHR (0.53) TSHRSMN1; SMN2TDP1GAACYP2C9
SCHEMBL21991471 0.81 SMN1; SMN2 (0.51) TSHRSMN1; SMN2TDP1GAACYP2C9
SCHEMBL6895797 0.81 MAPT (0.42) SMN1; SMN2TDP1LMNAHTT
SCHEMBL6892954 0.80 TDP1 (0.44) TSHRSMN1; SMN2TDP1HTTCYP1A2
SCHEMBL6896159 0.80 PKM (0.40) SMN1; SMN2ADRA1APPARGPPARAACHE
SCHEMBL9482145 0.76 NPSR1 (0.52) TSHRSMN1; SMN2TDP1GAACYP2C9
SCHEMBL6895467 0.76 LMNA (0.52) GAACYP2C9LMNACYP1A2

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 TSHR 4209/4885SMN1; SMN2 2954/4885TDP1 3544/4885

“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.