SCHEMBL13301451

SCHEMBL13301451

CCc1nc(C)c(CC(=O)O)s1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
PTGDR2 Q9Y5Y4 8/20 0.40
ADAMTS5 Q9UNA0 1/20 0.39
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
COMT P21964 1/20 0.35
CYP1A2 P05177 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL873381 0.79 PTGDR2 (0.53) MEN1KMT2APTGDR2KDM4EPOLB
SCHEMBL15796727 0.78 COMT (0.42) GAACOMTCYP1A2
SCHEMBL7818030 0.77 PTGDR2 (0.37) MEN1KMT2APTGDR2ADAMTS5KDM4E
SCHEMBL1843654 0.76 COMT (0.39) GAACOMTCYP1A2
SCHEMBL1158268 0.76 PTGDR2 (0.40) MEN1KMT2APTGDR2ADAMTS5KDM4E
SCHEMBL6739260 0.76 PTGDR2 (0.40) MEN1KMT2APTGDR2ADAMTS5KDM4E
SCHEMBL11150044 0.76 ALDH1A1 (0.53) MEN1KMT2APTGDR2KDM4EPOLB
SCHEMBL5026007 0.76 CYP1A2 (0.54) MEN1KMT2AALDH1A1MAPTCYP1A2
SCHEMBL27860995 0.75 PTGDR2 (0.36) MEN1KMT2APTGDR2ADAMTS5ALDH1A1
SCHEMBL10360134 0.74 PTGDR2 (0.39) MEN1KMT2APTGDR2ADAMTS5KDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100136300-A1 CURABLE COMPOSITION, INK COMPOSITION, INKJET RECORDING METHOD, PRINTED MATERIAL, METHOD OF PRODUCING PLANOGRAPHIC PRINTING PLATE, PLANOGRAPHIC PRINTING PLATE AND OXETANE COMPOUND FUJIFILM CORPORATION (JP) 2010-06-03 US disclosed
US-7709550-B2 Ink composition, inkjet recording method, printed material, process for producing lithographic printing plate, and lithographic printing plate FUJIFILM CORPORATION (JP) 2010-05-04 US disclosed
US-7219988-B2 Water-soluble phthalocyanine compound-containing ink for ink jetting, ink jet recording method and method for improving ozone gas discoloration of colored image material FUJI PHOTO FILM CO., LTD. (JP) 2007-05-22 US disclosed
US-20070052790-A1 Ink composition, inkjet recording method, printed material, process for producing lithographic printing plate, and lithographic printing plate FUJI PHOTO FILM CO., LTD. 2007-03-08 US disclosed
US-20070049651-A1 Curable composition, ink composition, inkjet recording method, printed material, method of producing planographic printing plate, planographic printing plate, and oxcetane compound FUJI PHOTO FILM CO., LTD. 2007-03-01 US 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-20100136300-A1 CURABLE COMPOSITION, INK COMPOSITION, INKJET RECORDING METHOD, PRINTED MATERIAL, METHOD OF PRODUCING PLANOGRAPHIC PRINTING PLATE, PLANOGRAPHIC PRINTING PLATE AND OXETANE COMPOUND CCNT1, ACVR2B, ACVR1B MEN1 2235/4885KMT2A 726/4885PTGDR2 434/4885

“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.