SCHEMBL4132115

SCHEMBL4132115

CCOc1cc(C(=O)Cl)on1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.48
MAPT P10636 3/20 0.37
THRB P10828 1/20 0.36
CHRNA4 P43681 2/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
TP53 P04637 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTT P42858 1/20 0.34
MAPK1 P28482 1/20 0.33
MAPK8 P45983 1/20 0.33
BRD4 O60885 1/20 0.33
BRD2 P25440 1/20 0.33
CREBBP Q92793 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
SCHEMBL2722839 0.84 HCAR2 (0.52) SMPD1MAPTTHRBCHRNA4POLB
SCHEMBL17263376 0.84 SMPD1 (0.49) SMPD1MAPTCHRNA4POLBSMN1; SMN2
SCHEMBL31517641 0.83 SMPD1 (0.48) SMPD1MAPTPOLBSMN1; SMN2ALDH1A1
SCHEMBL4124527 0.81 SMPD1 (0.41) SMPD1HTT
SCHEMBL7896956 0.81 SMPD1 (0.50) SMPD1MAPTCHRNA4POLBSMN1; SMN2
SCHEMBL1190827 0.80 CHRNA4 (0.50) SMPD1MAPTCHRNA4SMN1; SMN2ALDH1A1
SCHEMBL19538512 0.80 SMPD1 (0.46) SMPD1MAPTCHRNA4POLBSMN1; SMN2
SCHEMBL4123315 0.78 SMPD1 (0.43) SMPD1MAPTTHRBCHRNA4SMN1; SMN2
SCHEMBL10519525 0.78 SMPD1 (0.60) SMPD1THRBALDH1A1NPC1RAB9A
SCHEMBL5496655 0.75 SMN1; SMN2 (0.42) SMPD1MAPTCHRNA4SMN1; SMN2HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-07-16 US disclosed
US-7504508-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
US-7211672-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-05-01 US disclosed
EP-1740547-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-01-10 EP disclosed
US-20060106061-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2006-05-18 US disclosed
US-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2005-11-17 US disclosed
WO-2005100321-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-27 WO disclosed
EP-1556047-A2 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-07-27 EP disclosed
US-20040082609-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US disclosed
WO-2004032848-A2 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-04-22 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 (4 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-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 SMPD1 1524/4885MAPT 4208/4885THRB 970/4885
US-20060106061-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 SMPD1 1429/4885MAPT 4401/4885THRB 841/4885
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 SMPD1 1524/4885MAPT 4208/4885THRB 970/4885
US-20040082609-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, PTGDR, LTB4R2 SMPD1 983/4885MAPT 4629/4885THRB 910/4885

“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.