SCHEMBL5379982

SCHEMBL5379982

Cc1ccc(C2(O)CCN(C(=O)O)CC2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 1/20 0.47
AKR1C4 P17516 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
AKR1C1 Q04828 1/20 0.47
RORC P51449 4/20 0.43
POLB P06746 1/20 0.41
CCR1 P32246 1/20 0.40
ALDH1A1 P00352 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
S1PR2 O95136 2/20 0.39
PKM P14618 1/20 0.38
MC4R P32245 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL5367987 0.89 POLB (0.42) RORCPOLBCCR1ALDH1A1S1PR2
SCHEMBL3384526 0.87 DRD2 (0.45) CCR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL5376169 0.87 POLB (0.46) POLBALDH1A1OPRM1OPRD1OPRK1
SCHEMBL5378220 0.84 POLB (0.44) POLBCCR1ALDH1A1S1PR2L3MBTL1
SCHEMBL5381232 0.83 CCR1 (0.50) AKR1C3AKR1C2CCR1OPRM1OPRL1
SCHEMBL3851628 0.82 OPRM1 (0.45) POLBOPRM1OPRD1OPRK1OPRL1
SCHEMBL16874827 0.82 KDM4E (0.51) CCR1ALDH1A1OPRM1OPRD1OPRK1
SCHEMBL5375986 0.80 CCR1 (0.42) CCR1ALDH1A1OPRM1OPRD1OPRK1
SCHEMBL5375143 0.80 KDM4E (0.43) POLBCCR1ALDH1A1OPRM1OPRD1
SCHEMBL5380104 0.80 CCR1 (0.50) CCR1S1PR2

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 3 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 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 AKR1B10 403/4885AKR1C4 500/4885AKR1C3 397/4885

“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.