SCHEMBL6894535

SCHEMBL6894535

CC(C)CCCOC(=O)OC(C)I

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.33
PTPN1 P18031 1/20 0.32
PKM P14618 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
RARB P10826 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HRH3 Q9Y5N1 2/20 0.31
CA1 P00915 2/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
ACHE P22303 1/20 0.30

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
SCHEMBL6895063 0.88 CA1 (0.41) PKMMAPK1HSD17B10TDP1CA1
SCHEMBL9069149 0.83 BLM (0.40) BLMPTPN1PKMMAPK1HSD17B10
SCHEMBL6890550 0.82 ALDH1A1 (0.48) MAPK1TDP1ACHE
SCHEMBL9183408 0.81 BLM (0.33) BLMPTPN1PKMMAPK1HSD17B10
SCHEMBL9184662 0.81 FAAH (0.33) BLMPTPN1PKMMAPK1HSD17B10
SCHEMBL6892779 0.81 NAAA (0.47) MAPK1
SCHEMBL31633803 0.79 BLM (0.38) BLMPTPN1PKMMAPK1HSD17B10
SCHEMBL5511600 0.79 PKM (0.38) BLMPTPN1PKMMAPK1HSD17B10
SCHEMBL31112273 0.79 NAAA (0.50) ACHE
SCHEMBL6895955 0.79 NAAA (0.50) ACHE

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 BLM 3992/4885PTPN1 1417/4885PKM 1070/4885

“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.