SCHEMBL2392972

SCHEMBL2392972

CC(O)(C(=O)O)c1ccccc1-c1ccccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
KCNN4 O15554 4/20 0.40
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
LTB4R Q15722 1/20 0.38
ACMSD Q8TDX5 1/20 0.37
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
GAA P10253 1/20 0.37
KCNE1 P15382 1/20 0.36
KCNQ1 P51787 1/20 0.36
ALDH1A1 P00352 2/20 0.36
ALOX15 P16050 1/20 0.36
HBB P68871 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
SCHEMBL1822203 0.85 KCNN4 (0.49) KCNN4CES2CES1PDK1PDK2
SCHEMBL27324414 0.80 NPC1 (0.39) AKR1C3AKR1C2NPC1PKMRAB9A
SCHEMBL2393250 0.79 AKR1C3 (0.46) AKR1C3AKR1C2NPC1PKMRAB9A
SCHEMBL11848281 0.77 NPC1 (0.51) AKR1C3AKR1C2NPC1PKMRAB9A
SCHEMBL3731316 0.75 SLC13A5 (0.43) RAB9ACES2ALDH1A1HSD17B10SLC13A5
SCHEMBL7705006 0.74 PPARG (0.39) ALDH1A1HSD17B10
SCHEMBL891405 0.72 ALDH1A1 (0.56) NPC1RAB9AALDH1A1ALOX15HSD17B10
SCHEMBL1828511 0.72 PDK1 (0.41) NPC1RAB9APDK1PDK2PDK3
SCHEMBL16815415 0.72 ALDH1A1 (0.56) NPC1RAB9AALDH1A1ALOX15HSD17B10
SCHEMBL30501782 0.72 KCNN4 (0.50) AKR1C3AKR1C2KCNN4CES2CES1

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
US-20120142771-A1 BIPHENYLACETAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-06-07 US disclosed
EP-2374790-A1 BIPHENYLACETAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2011-10-12 EP disclosed
US-20110224304-A1 BIPHENYLACETAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-09-15 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-20120142771-A1 BIPHENYLACETAMIDE DERIVATIVE HRH3, KCNH3, BRPF3 AKR1C3 191/4885AKR1C2 459/4885NPC1 1800/4885
US-20110224304-A1 BIPHENYLACETAMIDE DERIVATIVE HRH3, KCNH3, BRPF3 AKR1C3 191/4885AKR1C2 459/4885NPC1 1800/4885

“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.