SCHEMBL2282155

SCHEMBL2282155

Cc1nnc(SCc2cc(Br)ccc2Oc2cccc(CC(=O)O)c2)s1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
MAPT P10636 5/20 0.47
NPC1 O15118 5/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 4/20 0.46
RAB9A P51151 4/20 0.46
PKM P14618 3/20 0.42
TSHR P16473 1/20 0.42
HSD11B1 P28845 1/20 0.42
POLB P06746 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
PPARD Q03181 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
SCHEMBL2278795 0.90 MAPT (0.47) ALDH1A1HPGDMAPTNPC1MEN1
SCHEMBL2275762 0.83 PPARD (0.41) PPARD
SCHEMBL2275741 0.82 PPARD (0.37) MAPTPOLBPPARD
SCHEMBL2282152 0.81 PTGDR2 (0.45) MAPTMEN1KMT2ALMNAHTT
SCHEMBL2280428 0.81 PTGDR2 (0.41) MEN1KMT2AHSD11B1PPARD
SCHEMBL2279376 0.78 ALDH1A1 (0.46) ALDH1A1HPGDMAPTNPC1MEN1
SCHEMBL2278791 0.78 PTGDR2 (0.46) PPARD
SCHEMBL2281413 0.78 CYP1A2 (0.49) ALDH1A1MEN1KMT2APOLBPPARD
SCHEMBL2275765 0.76 PTGDR2 (0.44) PPARD
SCHEMBL2282151 0.76 PPARD (0.38) PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 US claimed
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
WO-2010003127-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 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-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 ALDH1A1 2155/4885HPGD 25/4885MAPT 4843/4885

“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.