SCHEMBL6895800

SCHEMBL6895800

CCc1ccc(OC(=O)OC(C)I)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.45
ALDH1A1 P00352 2/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
POLB P06746 1/20 0.40
CYP2C19 P33261 2/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSP90AA1 P07900 1/20 0.40
KMT2A Q03164 3/20 0.39
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAOB P27338 1/20 0.38
THRB P10828 1/20 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
SCHEMBL1791741 0.83 RAB9A (0.45) RAB9AALDH1A1PPARGPPARARXRA
SCHEMBL47952 0.82 RAB9A (0.56) RAB9AALDH1A1PPARGPPARARXRA
SCHEMBL6890875 0.81 SMN1; SMN2 (0.45) RAB9AALDH1A1CYP2C19NPC1SMN1; SMN2
SCHEMBL6895467 0.81 LMNA (0.52) ALDH1A1CYP2C19KMT2ALMNACYP1A2
SCHEMBL14887376 0.80 RAB9A (0.56) RAB9AALDH1A1PPARGPPARARXRA
SCHEMBL6895672 0.79 ALDH1A1 (0.42) RAB9AALDH1A1NPC1KMT2ALMNA
SCHEMBL1790949 0.78 RAB9A (0.51) RAB9APPARGPPARAPOLBCYP2C19
SCHEMBL1787873 0.78 RAB9A (0.43) RAB9AALDH1A1PPARGPPARARXRA
SCHEMBL238518 0.77 RAB9A (0.51) RAB9AALDH1A1PPARGPPARARXRA
SCHEMBL17637686 0.77 CA2 (0.46) RAB9AALDH1A1PPARGPPARARXRA

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 RAB9A 1538/4885ALDH1A1 1161/4885PPARG 4453/4885

“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.