SCHEMBL4453709

SCHEMBL4453709

Cc1cn(CC(=O)O)c(C)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
LMNA P02545 1/20 0.43
CYP19A1 P11511 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ALPL P05186 2/20 0.38
KMT2A Q03164 2/20 0.38
PKM P14618 1/20 0.38
PLAA Q9Y263 1/20 0.38
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
ALPG P10696 1/20 0.37
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CSNK2A2 P19784 1/20 0.35
CSNK2A1 P68400 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
Trifluoroacetic Acid SCHEMBL3583791 0.90 KDM4E (0.39) ALDH1A1KDM4EPOLBMAPTLMNA
SCHEMBL13712183 0.82 HTT (0.40) LMNACYP19A1RXFP1ALPLKMT2A
SCHEMBL28711155 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EPOLBMAPTLMNA
SCHEMBL13031253 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EPOLBMAPTLMNA
SCHEMBL13031308 0.79 CYP19A1 (0.58) ALDH1A1KDM4EPOLBMAPTLMNA
SCHEMBL3588609 0.79 ALDH1A1 (0.42) ALDH1A1KDM4EPOLBMAPTLMNA
SCHEMBL15484840 0.77 KDM4E (0.44) ALDH1A1KDM4EPOLBMAPTLMNA
SCHEMBL13384300 0.75 ALDH1A1 (0.39) ALDH1A1KDM4EPOLBMAPTLMNA
SCHEMBL3587299 0.75 ALDH1A1 (0.38) ALDH1A1KDM4ERXFP1ALPLKMT2A
SCHEMBL15724293 0.75 EPHX2 (0.41) ALDH1A1KDM4EPOLBMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
US-20090030012-A1 Pyridine, Pyrimidine and Pyrazine Derivatives as Cxcr3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-01-29 US disclosed
US-20090030012-A1 Pyridine, Pyrimidine and Pyrazine Derivatives as Cxcr3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-01-29 US disclosed
EP-1988900-A2 PYRIDINE, PYRIMIDINE AND PYRAZINE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2008-11-12 EP disclosed
WO-2007100610-A2 PYRIDINE, PYRIMIDINE AND PYRAZINE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-09-07 WO disclosed
WO-2007100610-A2 PYRIDINE, PYRIMIDINE AND PYRAZINE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-09-07 WO disclosed
EP-0751424-B1 Silver halide color photographic material and method for forming image FUJI PHOTO FILM CO LTD (JP) 2000-05-31 EP disclosed
US-5989789-A COLOR DEVELOPMENT CARRIED UNDER SPECIFIC DEVELOPING TIMES AND TEMPERATURE; USING A COLOR DEVELOPING SOLUTION WHERE THE SILVER HALIDE SOLVENT IS SELECTED FROM THIOSULFATE, METHANESULFONATE, THIOCYANATE, AND OTHERS OF GIVEN FORMULAS FUJI PHOTO FILM CO., LTD. (JP) 1999-11-23 US disclosed
US-5985527-A IMAGES AND DYE DEVELOPMENT FUJI PHOTO FILM CO., LTD. (JP) 1999-11-16 US disclosed
US-5882847-A SUITABLE FOR RAPID PROCESSING; MAGNETIC RECORDING MEDIA FUJI PHOTO FILM CO., LTD. (JP) 1999-03-16 US disclosed
EP-0751424-A2 Silver halide color photographic material and method for forming image FUJI PHOTO FILM CO., LTD. (JP) 1997-01-02 EP disclosed
EP-0726493-A2 Silver halide color photographic material and image forming method using the same FUJI PHOTO FILM CO., LTD. (JP) 1996-08-14 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 (2 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-20090030012-A1 Pyridine, Pyrimidine and Pyrazine Derivatives as Cxcr3 Receptor Modulators CXCR3, CXCR1, CXCR5 ALDH1A1 1431/4885KDM4E 3976/4885POLB 4082/4885
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 ALDH1A1 971/4885KDM4E 3447/4885POLB 4548/4885

“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.