SCHEMBL6889852

SCHEMBL6889852

C[CH]OC(=O)Oc1cc(C)ccc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
TDP1 Q9NUW8 3/20 0.43
GAA P10253 1/20 0.43
CYP2C9 P11712 2/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
TTR P02766 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C8 P10632 1/20 0.40
CHRM1 P11229 1/20 0.40
ADRA1A P35348 1/20 0.40
PPARG P37231 1/20 0.40
HTR2B P41595 1/20 0.40
PPARA Q07869 1/20 0.40
SLCO1B3 Q9NPD5 1/20 0.40
CISD1 Q9NZ45 1/20 0.40
SLCO1B1 Q9Y6L6 1/20 0.40
NPC1 O15118 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL6890294 0.86 L3MBTL1 (0.46) SMN1; SMN2TDP1GAACYP2C9LMNA
SCHEMBL10931521 0.85 TSHR (0.53) TSHRSMN1; SMN2TDP1GAACYP2C9
SCHEMBL6890493 0.81 TYR (0.49) ACHE
SCHEMBL21991471 0.80 SMN1; SMN2 (0.51) TSHRSMN1; SMN2TDP1GAACYP2C9
SCHEMBL6894110 0.79 MAPT (0.43) SMN1; SMN2HTTLMNAHPGDMAPT
SCHEMBL6895790 0.79 TDP1 (0.43) TSHRSMN1; SMN2TDP1LMNAPPARG
SCHEMBL21551646 0.77 TSHR (0.53) TSHRSMN1; SMN2TDP1GAACYP2C9
SCHEMBL6889856 0.77 TSHR (0.50) TSHRSMN1; SMN2TDP1GAACYP2C9
SCHEMBL21991785 0.76 TSHR (0.45) TSHRSMN1; SMN2TDP1GAACYP2C9
SCHEMBL3324155 0.76 ACHE (0.62) TSHRSMN1; SMN2TDP1GAACYP2C9

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.