SCHEMBL6893701

SCHEMBL6893701

C[CH]OC(=O)COCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.47
ALDH1A1 P00352 4/20 0.46
NPC1 O15118 2/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GRM5 P41594 1/20 0.43
SLC1A1 P43005 1/20 0.42
PTPRC P08575 1/20 0.42
PTPN1 P18031 1/20 0.42
RAB9A P51151 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 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
SCHEMBL5267255 0.86 TSHR (0.50) MAPTTSHRALDH1A1NPC1MAPK1
SCHEMBL2722346 0.81 TEAD3 (0.44) TSHRALDH1A1MAPK1L3MBTL1SMN1; SMN2
SCHEMBL1171919 0.80 TSHR (0.52) MAPTTSHRALDH1A1NPC1MAPK1
SCHEMBL4644595 0.80 MAPT (0.46) MAPTTSHRALDH1A1NPC1MAPK1
SCHEMBL11632800 0.80 TSHR (0.56) MAPTTSHRALDH1A1NPC1MAPK1
SCHEMBL705231 0.78 TSHR (0.56) TSHRALDH1A1MAPK1L3MBTL1SMN1; SMN2
SCHEMBL419807 0.78 ALDH1A1 (0.66) TSHRALDH1A1MAPK1L3MBTL1GRM5
SCHEMBL52219 0.77 ALDH1A1 (0.52) MAPTTSHRALDH1A1NPC1MAPK1
SCHEMBL4643567 0.77 ALDH1A1 (0.56) MAPTTSHRALDH1A1NPC1MAPK1
SCHEMBL9422962 0.77 TSHR (0.48) MAPTTSHRALDH1A1NPC1MAPK1

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 3 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
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 4427/4885TSHR 4209/4885ALDH1A1 1161/4885

“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.