SCHEMBL6895797

SCHEMBL6895797

Cc1cc(C)c(C)c(OC(=O)OC(C)I)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
ALDH1A1 P00352 4/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 2/20 0.36
HPGD P15428 3/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
POLB P06746 2/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
GFER P55789 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL6893753 0.85 MEN1 (0.32) MAPTALDH1A1HTTKDM4ENPSR1
SCHEMBL6890813 0.81 TSHR (0.43) HTTSMN1; SMN2LMNATDP1
SCHEMBL6890949 0.81 L3MBTL1 (0.47) MAPTALDH1A1KDM4ESMN1; SMN2NPSR1
SCHEMBL6896351 0.76 MEN1 (0.39) MAPTALDH1A1HTTKDM4ESMN1; SMN2
SCHEMBL6894114 0.75 MAPT (0.44) MAPTALDH1A1HTTKDM4ESMN1; SMN2
SCHEMBL6892954 0.73 TDP1 (0.44) ALDH1A1HTTKDM4ESMN1; SMN2HPGD
SCHEMBL6894110 0.73 MAPT (0.43) MAPTALDH1A1HTTKDM4ESMN1; SMN2
SCHEMBL31229876 0.73 MAPT (0.49) MAPTALDH1A1HTTKDM4ESMN1; SMN2
SCHEMBL2048079 0.73 MAPT (0.49) MAPTALDH1A1HTTKDM4ESMN1; SMN2
SCHEMBL6896154 0.72 TYR (0.49)

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 MAPT 4427/4885ALDH1A1 1161/4885HTT 3821/4885

“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.