SCHEMBL10174735

SCHEMBL10174735

CCc1cc(C)c(C(=O)OC)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.46
▸ ACHE P22303 1/20 0.46
▸ HPGD P15428 2/20 0.44
▸ POLB P06746 3/20 0.40
▸ GLO1 Q04760 1/20 0.39
▸ CNR2 P34972 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ TAS1R3 Q7RTX0 1/20 0.36
▸ TAS1R1 Q7RTX1 1/20 0.36
▸ TAS1R2 Q8TE23 1/20 0.36

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
SCHEMBL12124431 0.89 CA12 (0.41) CYP3A4ACHEHPGDPOLBCNR2
SCHEMBL27685454 0.82 PTGS1 (0.40) CYP3A4ACHEHPGDPOLBTDP1
SCHEMBL23169113 0.81 GAA (0.39) HPGDLMNASMN1; SMN2CA2ALDH1A1
SCHEMBL17831139 0.80 CYP3A4 (0.50) CYP3A4ACHEHPGDPOLBGLO1
SCHEMBL10174580 0.79 NOTUM (0.42) CYP3A4HPGDTDP1KDM4EL3MBTL1
SCHEMBL13233814 0.79 CYP3A4 (0.42) CYP3A4ACHEHPGDPOLBLMNA
SCHEMBL17419113 0.77 CYP3A4 (0.47) CYP3A4ACHEHPGDPOLBGLO1
SCHEMBL22437325 0.77 PTPN1 (0.38) POLBLMNATDP1SMN1; SMN2CA12
SCHEMBL22996828 0.77 CYP3A4 (0.47) CYP3A4ACHEHPGDPOLBGLO1
SCHEMBL25747027 0.77 CYP3A4 (0.47) CYP3A4ACHEHPGDPOLBGLO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-12 — — US disclosed
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-12 — — US disclosed
EP-1550662-B1 ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO (JP) 2012-07-04 — — EP disclosed
US-8148371-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-04-03 — — US disclosed
US-8148371-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-04-03 — — US disclosed
US-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO.,LTD. (JP) 2010-10-07 — — US disclosed
US-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO.,LTD. (JP) 2010-10-07 — — US disclosed
US-7754728-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-13 — — 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 (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-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, P2RY10, HRH4 CYP3A4 91/4885ACHE 1938/4885HPGD 518/4885
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 CYP3A4 106/4885ACHE 1968/4885HPGD 449/4885

“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.

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