SCHEMBL5857644

SCHEMBL5857644

CC1C(=O)OC(=O)C(C)C1(C)c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.43
MAPT P10636 4/20 0.37
HSD17B10 Q99714 2/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 2/20 0.36
AR P10275 1/20 0.35
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
MITF O75030 1/20 0.34
NSD2 O96028 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
ATM Q13315 1/20 0.34
CYP3A4 P08684 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 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
SCHEMBL5856716 0.68 HCAR2 (0.40) HCAR2MAPTHSD17B10TSHRRAB9A
Hydrochloric Acid SCHEMBL8030683 0.67 HCAR2 (0.39) HCAR2MAPTHSD17B10TSHRRAB9A
SCHEMBL22771076 0.67 HCAR2 (0.39) HCAR2MAPTHSD17B10TSHRRAB9A
SCHEMBL15042209 0.67 AR (0.43) HCAR2MAPTHSD17B10TSHRRAB9A
SCHEMBL3100197 0.66 HCAR2 (0.57) HCAR2MAPTHSD17B10TSHRRAB9A
SCHEMBL122354 0.65 HCAR2 (0.42) HCAR2MAPTHSD17B10TSHRRAB9A
SCHEMBL5754953 0.64 CYP3A4 (0.54) HSD17B10HTTSMN1; SMN2LMNACYP3A4
SCHEMBL17033073 0.64 ALDH1A1 (0.41) HCAR2MAPTHSD17B10TSHRRAB9A
SCHEMBL8636101 0.64 HCAR2 (0.48) HCAR2HTTSMN1; SMN2LMNASLC6A2
SCHEMBL9387177 0.63 HCAR2 (0.41) HCAR2MAPTHSD17B10TSHRRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7119098-B2 Heteroarylakanoic acids as intergrin receptor antagonists PHARMACIA CORPORATION (US) 2006-10-10 US disclosed
US-6933304-B2 Heteroarylalkanoic acids as integrin receptor antagonists PHARMACIA CORPORATION (US) 2005-08-23 US disclosed
US-20040092497-A1 Heteroarylakanoic acids as intergrin receptor antagonists PHARMACIA CORPORATION 2004-05-13 US disclosed
EP-1289983-A2 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS Pharmacia Corporation (US) 2003-03-12 EP disclosed
US-20020133023-A1 Heteroarylalkanoic acids as integrin receptor antagonists PHARMACIA CORPORATION 2002-09-19 US disclosed
WO-2001096334-A2 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA CORPORATION (US) 2001-12-20 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-20020133023-A1 Heteroarylalkanoic acids as integrin receptor antagonists ITGA5, ITGA2B, ITGAV HCAR2 40/4885MAPT 4814/4885HSD17B10 1734/4885
US-20040092497-A1 Heteroarylakanoic acids as intergrin receptor antagonists ITGA5, ITGB7, ITGA2B HCAR2 41/4885MAPT 4872/4885HSD17B10 1402/4885

“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.