SCHEMBL2771395

SCHEMBL2771395

CCOC(=O)Cc1c(C)c(Sc2ccc(S(=O)(=O)N3CCOCC3)cc2)n2c(Cl)c(F)ccc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MAPK1 P28482 2/20 0.44
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 4/20 0.42
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HSD17B10 Q99714 3/20 0.41
GAA P10253 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CREBBP Q92793 1/20 0.41
POLB P06746 2/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
USP2 O75604 2/20 0.40
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL2768653 0.90 PTGDR2 (0.46) ALDH1A1TSHRLMNAKMT2ASMN1; SMN2
SCHEMBL2771887 0.84 PTGDR2 (0.47) ALDH1A1MAPK1TSHRLMNAKMT2A
SCHEMBL3300027 0.75 PTGDR2 (0.61) ALDH1A1MAPK1TSHRLMNAKMT2A
SCHEMBL2769602 0.74 PTGDR2 (0.58) LMNAGAA
SCHEMBL17114436 0.71 MAPK1 (0.65) ALDH1A1MAPK1TSHRLMNAKMT2A
SCHEMBL3568010 0.70 PTGDR2 (0.47) ALDH1A1
SCHEMBL3564465 0.69 PTGDR2 (0.52) ALDH1A1TSHRLMNAKMT2ASMN1; SMN2
SCHEMBL3303151 0.69 CYP2C9 (0.44) ALDH1A1MAPK1TSHRSMN1; SMN2GAA
SCHEMBL3302840 0.69 ALDH1A1 (0.38) ALDH1A1MAPK1TSHRLMNAKMT2A
SCHEMBL3297889 0.69 POLB (0.36) ALDH1A1MAPK1TSHRLMNASMN1; SMN2

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
EP-1910357-B1 INDOLI ZINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS ARGENTA DISCOVERY LTD (GB) 2010-04-14 EP disclosed
US-20090163534-A1 Indolizine Derivatives ARGENTA DISCOVERY LIMITED (GB) 2009-06-25 US disclosed
EP-1910357-A2 INDOLI ZINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS Argenta Discovery Limited (GB) 2008-04-16 EP disclosed
WO-2006136859-A2 INDOLI ZINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2006-12-28 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-20090163534-A1 Indolizine Derivatives HRH4, HRH2, NR1H2 ALDH1A1 3086/4885MAPK1 2656/4885TSHR 57/4885

“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.