SCHEMBL176913

SCHEMBL176913

O=C(O)n1nc(C(F)(F)F)c2ccc(O)cc21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.41
ESR1 P03372 7/20 0.39
HSD17B3 P37058 1/20 0.35
CYP11B2 P19099 2/20 0.34
CYP19A1 P11511 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP11B1 P15538 1/20 0.34
RORC P51449 1/20 0.34
PTGER1 P34995 1/20 0.33
KCNJ11 Q14654 1/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
CCNE2 O96020 1/20 0.31
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31

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
SCHEMBL176821 0.82 MAP2K4 (0.43) ELANEESR1CYP11B2CYP19A1CYP2C9
SCHEMBL11897866 0.78 ESR1 (0.38) ESR1PTGER1
SCHEMBL176951 0.78 ELANE (0.42) ELANEESR1
SCHEMBL27259777 0.78 ESR1 (0.54) ESR1CYP11B2CYP19A1CYP2C9CYP11B1
SCHEMBL11897091 0.74 ESR1 (0.37) ESR1CYP2C9PTGER1PKM
SCHEMBL11897154 0.74 SLC22A12 (0.41) ESR1HSD17B3
SCHEMBL176815 0.74 SLC22A12 (0.39) ESR1CYP2C9PTGER1
SCHEMBL2305653 0.74 HTR3A (0.32) ESR1PTGER1
SCHEMBL257711 0.73 ELANE (0.48) ELANECYP11B2PTGER1NPC1PKM
SCHEMBL177258 0.71 ELANE (0.35) ELANECYP11B2CYP19A1CYP2C9CYP11B1

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
EP-2345644-A1 INDAZOLE COMPOUND Asahi Kasei Pharma Corporation (JP) 2011-07-20 EP claimed
US-20120225909-A1 INDAZOLE ANALOG ASAHI KASEI PHARMA CORPORATION (JP) 2012-09-06 US disclosed
EP-2484668-A1 INDAZOLE ANALOGUE Asahi Kasei Pharma Corporation (JP) 2012-08-08 EP disclosed
EP-2345644-A1 INDAZOLE COMPOUND Asahi Kasei Pharma Corporation (JP) 2011-07-20 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-20120225909-A1 INDAZOLE ANALOG ADRB3, ADRB1, ADRB2 ELANE 1921/4885ESR1 1355/4885HSD17B3 48/4885

“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.