SCHEMBL11285247

SCHEMBL11285247

COC(=O)COc1cc(Cl)ccc1C(C)=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
LMNA P02545 1/20 0.54
PTGDR Q13258 1/20 0.53
PTGDR2 Q9Y5Y4 1/20 0.53
PTGS2 P35354 1/20 0.51
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
TSHR P16473 1/20 0.46
AKR1B1 P15121 2/20 0.45
AKR1B10 O60218 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
HIF1A Q16665 1/20 0.45

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
SCHEMBL11280539 0.88 NPC1 (0.61) MAPTLMNAPTGDRPTGDR2PTGS2
SCHEMBL1107061 0.88 ABL1 (0.54) MAPTLMNAPTGDRPTGDR2PTGS2
SCHEMBL1107052 0.85 AKR1B1 (0.52) LMNAPTGDRPTGDR2PTGS2HTT
SCHEMBL7328151 0.84 ALDH1A1 (0.57) LMNAPTGS2HTTSMN1; SMN2ALDH1A1
SCHEMBL11279104 0.83 ALDH1A1 (0.54) MAPTLMNARAB9AHTTSMN1; SMN2
SCHEMBL11274520 0.83 GAA (0.54) MAPTLMNANPC1RAB9AHTT
SCHEMBL10651243 0.82 HTT (0.48) MAPTLMNAPTGDRPTGDR2HTT
SCHEMBL1530945 0.82 PTGDR2 (0.56) MAPTLMNAPTGDR2NPC1RAB9A
SCHEMBL1107026 0.81 LMNA (0.57) MAPTLMNAPTGDRPTGDR2PTGS2
SCHEMBL1107029 0.81 PTGDR (0.59) MAPTLMNAPTGDRPTGDR2PTGS2

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
US-9440938-B2 Sulfonamide derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2016-09-13 US disclosed
US-20150158833-A1 SULFONAMIDE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO (JP) 2015-06-11 US disclosed
US-4320061-A ANTISPASMODIC AGENTS KALI-CHEMIE PHARMA GMBH (DE) 1982-03-16 US disclosed
US-4279905-A GASTROINTESTINAL DISORDERS KALI-CHEMIE PHARMA GMBH (DE) 1981-07-21 US 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-20150158833-A1 SULFONAMIDE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY PTGDR, PTGDR2, CNR2 MAPT 4835/4885LMNA 3756/4885PTGDR 1/4885

“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.