SCHEMBL253656

SCHEMBL253656

CCOC(=O)CCC1=NN(c2ccccc2F)C(=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
CYP4F2 P78329 2/20 0.42
CYP4A11 Q02928 2/20 0.42
NOTUM Q6P988 1/20 0.41
NPSR1 Q6W5P4 3/20 0.41
SLC6A4 P31645 1/20 0.41
GAA P10253 2/20 0.40
ALDH1A1 P00352 3/20 0.39
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 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
SCHEMBL2185522 0.84 GAA (0.57) LMNACYP4F2CYP4A11GAAALDH1A1
SCHEMBL5462729 0.74 GAA (0.63) LMNACYP4F2CYP4A11GAAALDH1A1
SCHEMBL2595479 0.70 TDP1 (0.47) LMNANPSR1GAAALDH1A1TSHR
SCHEMBL1151562 0.68 CYP4F2 (0.69) LMNACYP4F2CYP4A11NPSR1GAA
SCHEMBL5928911 0.68 GAA (0.60) CYP4F2CYP4A11GAAALDH1A1TSHR
SCHEMBL202910 0.67 HTT (0.40) LMNACYP4F2CYP4A11NOTUMNPSR1
SCHEMBL11160437 0.67 ALDH1A1 (0.60) LMNANPSR1SLC6A4ALDH1A1TSHR
SCHEMBL2556229 0.66 CYP4F2 (0.53) CYP4F2CYP4A11GAAALDH1A1TSHR
SCHEMBL4664663 0.65 GAA (0.76) LMNAGAAALDH1A1TSHRMAPK1
SCHEMBL3525644 0.65 SHMT2 (0.40) LMNAGAAALDH1A1TSHRCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9023864-B2 Indole derivatives as CRTH2 receptor antagonists MERCK SHARP & DOHME CORP. (US) 2015-05-05 US disclosed
EP-2492267-B1 Indole derivatives as CRTH2 receptor antagonists in combination with a second active ingredient MERCK SHARP & DOHME (US) 2014-11-26 EP disclosed
EP-2401269-B1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-01-29 EP disclosed
US-20130150398-A1 Indole Derivatives as CRTH2 Receptor Antagonists MERCK SHARP & DOHME LLC 2013-06-13 US disclosed
US-8394819-B2 Indole derivatives as CRTH2 receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-03-12 US disclosed
EP-2492267-A1 Indole derivatives as CRTH2 receptor antagonists in combination with a second active ingredient Merck Sharp & Dohme Corp. (US) 2012-08-29 EP disclosed
EP-2401269-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2012-01-04 EP disclosed
US-20100234415-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-09-16 US disclosed
WO-2010099039-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2010-09-02 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 (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-20130150398-A1 Indole Derivatives as CRTH2 Receptor Antagonists PTGER2, PTGDR2, PTGDR LMNA 4369/4885CYP4F2 978/4885CYP4A11 433/4885
US-20100234415-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS PTGER2, PTGDR2, PTGDR LMNA 4369/4885CYP4F2 978/4885CYP4A11 433/4885

“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.