SCHEMBL3588609

SCHEMBL3588609

Cc1nc(CO)cn1CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 1/20 0.42
NOTUM Q6P988 4/20 0.37
LMNA P02545 2/20 0.36
ALPL P05186 2/20 0.35
PKM P14618 1/20 0.35
PLAA Q9Y263 1/20 0.35
KMT2A Q03164 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
ALPG P10696 1/20 0.35
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL28711155 0.87 ALDH1A1 (0.43) ALDH1A1KDM4EPOLBMAPTLMNA
SCHEMBL3580596 0.81 GAA (0.38) ALDH1A1KDM4EPOLBMAPTNOTUM
SCHEMBL13384300 0.81 ALDH1A1 (0.39) ALDH1A1KDM4EPOLBMAPTLMNA
SCHEMBL4453709 0.79 ALDH1A1 (0.46) ALDH1A1KDM4EPOLBMAPTLMNA
SCHEMBL13031253 0.76 ALDH1A1 (0.43) ALDH1A1KDM4EPOLBMAPTLMNA
SCHEMBL15484840 0.72 KDM4E (0.44) ALDH1A1KDM4EPOLBMAPTLMNA
SCHEMBL10591397 0.72 TNF (0.45) ALDH1A1KDM4EPOLBMAPTNOTUM
Trifluoroacetic Acid SCHEMBL3583791 0.71 KDM4E (0.39) ALDH1A1KDM4EPOLBMAPTLMNA
SCHEMBL8062714 0.70 CASP3 (0.49) ALDH1A1KDM4EMAPTPKML3MBTL1
Trifluoroacetic Acid SCHEMBL3586206 0.69 KDM4E (0.37) 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 3 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-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
WO-2007070433-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-21 WO 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-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.