SCHEMBL6890551

SCHEMBL6890551

Cc1ccccc1C(=O)OC(C)I

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ADRB2 P07550 2/20 0.47
ADRB1 P08588 2/20 0.47
ADRB3 P13945 2/20 0.47
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 2/20 0.45
UTS2R Q9UKP6 1/20 0.45
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
ALDH1A1 P00352 2/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
PLK1 P53350 2/20 0.43

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
SCHEMBL1786549 0.85 SMN1; SMN2 (0.52) SMN1; SMN2KDM4EADRB2ADRB1ADRB3
SCHEMBL277670 0.85 NPC1 (0.56) SMN1; SMN2KDM4EADRB2ADRB1ADRB3
SCHEMBL27681565 0.83 ADRB2 (0.51) SMN1; SMN2KDM4EADRB2ADRB1ADRB3
SCHEMBL28281250 0.81 SMN1; SMN2 (0.50) SMN1; SMN2KDM4EADRB2ADRB1ADRB3
SCHEMBL31231255 0.81 SMN1; SMN2 (0.50) SMN1; SMN2KDM4EADRB2ADRB1ADRB3
SCHEMBL29290201 0.81 ADRB2 (0.49) SMN1; SMN2KDM4EADRB2ADRB1ADRB3
SCHEMBL14690195 0.80 SMN1; SMN2 (0.59) SMN1; SMN2KDM4EADRB2ADRB1ADRB3
SCHEMBL2408720 0.80 SMN1; SMN2 (0.59) SMN1; SMN2KDM4EADRB2ADRB1ADRB3
SCHEMBL28277740 0.79 NPC1 (0.50) SMN1; SMN2KDM4EADRB2ADRB1ADRB3
SCHEMBL27773268 0.79 SMN1; SMN2 (0.48) SMN1; SMN2KDM4EADRB2ADRB1ADRB3

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 SMN1; SMN2 2954/4885KDM4E 1406/4885ADRB2 2610/4885

“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.