SCHEMBL5379997

SCHEMBL5379997

N#CC1(c2cc(F)cc(F)c2)CCN(C(=O)O)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
HRH3 Q9Y5N1 1/20 0.39
ALDH1A1 P00352 5/20 0.37
CHRM4 P08173 1/20 0.37
ALDH2 P05091 1/20 0.36
ALDH1A3 P47895 1/20 0.36
OPRM1 P35372 1/20 0.36
CYP2D6 P10635 1/20 0.36
OPRD1 P41143 1/20 0.36
F11 P03951 1/20 0.35

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
SCHEMBL3491179 0.90 CA12 (0.39) CA12CA1CA2CA9CA7
SCHEMBL5379958 0.88 S1PR2 (0.42) CA12CA1CA2CA9CA7
SCHEMBL2428794 0.85 CA12 (0.50) CA12CA1CA2CA9CA7
SCHEMBL2636899 0.80 CA12 (0.66) CA12CA1CA2CA9CA7
SCHEMBL1839257 0.78 OPRM1 (0.34) ALDH1A1OPRM1
SCHEMBL3387449 0.78 S1PR2 (0.43) ALDH1A1OPRM1OPRD1
SCHEMBL23647368 0.76 CA12 (0.43) CA12CA1CA2CA9CA7
SCHEMBL2381444 0.76 CA12 (0.50) CA12CA1CA2CA9CA7
SCHEMBL3931674 0.76 OPRM1 (0.61) CA12CA1CA2CA9CA7
SCHEMBL23647458 0.76 CA12 (0.50) CA12CA1CA2CA9CA7

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
EP-1714961-B1 INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2015-12-09 EP claimed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 US claimed
EP-1714961-A1 INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2006-10-25 EP claimed
EP-1714961-B1 INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2015-12-09 EP disclosed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 US disclosed
EP-1714961-A1 INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2006-10-25 EP 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-20070173537-A1 Indazole compound and pharmaceutical use thereof CYP3A5, CYP3A43, TP53 CA12 623/4885CA1 1034/4885CA2 465/4885

“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.