SCHEMBL15710366

SCHEMBL15710366

O=C(NNc1ccc(Br)cc1)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MAPT P10636 3/20 0.51
ALDH1A1 P00352 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
KDM4E B2RXH2 1/20 0.51
GFER P55789 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 2/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
LMNA P02545 2/20 0.39

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
SCHEMBL8476433 0.81 MAPT (0.45) GAASMN1; SMN2MAPTALDH1A1TDP1
SCHEMBL9547196 0.81 CA1 (0.41) GAASMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL8930990 0.81 TRPV1 (0.47) GAASMN1; SMN2MAPTALDH1A1CA1
SCHEMBL490629 0.80 CA12 (0.58) MAPTL3MBTL1MEN1KMT2ACA1
SCHEMBL2231647 0.80 GAA (0.58) GAASMN1; SMN2ALDH1A1KDM4EL3MBTL1
SCHEMBL20984621 0.77 GAA (0.62) GAASMN1; SMN2MAPTALDH1A1TDP1
SCHEMBL9461879 0.77 GAA (0.62) GAASMN1; SMN2MAPTALDH1A1TDP1
SCHEMBL8020298 0.77 PTGS2 (0.55) GAASMN1; SMN2MAPTALDH1A1TDP1
Hydrogen Sulfide SCHEMBL8030072 0.75 PTGS2 (0.54) GAASMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL11685105 0.75 ALDH1A1 (0.58) GAASMN1; SMN2MAPTALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104812748-B Pyrazoline GPR40 conditioning agents 百时美施贵宝公司 2017-10-24 CN disclosed
US-9656963-B2 Dihydropyrazole GPR40 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-23 US disclosed
US-9604964-B2 Dihydropyrazole GPR40 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-28 US disclosed
EP-2925749-B1 DIHYDROPYRAZOLE GPR40 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2016-10-26 EP disclosed
EP-2925726-B1 DIHYDROPYRAZOLE GPR40 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2016-10-26 EP disclosed
US-20160297797-A1 DIHYDROPYRAZOLE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2016-10-13 US disclosed
US-20160280659-A1 DIHYDROPYRAZOLE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2016-09-29 US disclosed
EP-2920165-B1 DIHYDROPYRAZOLE GPR40 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2016-09-28 EP disclosed
EP-2925726-A1 DIHYDROPYRAZOLE GPR40 MODULATORS Bristol-Myers Squibb Company (US) 2015-10-07 EP disclosed
EP-2925749-A1 DIHYDROPYRAZOLE GPR40 MODULATORS Bristol-Myers Squibb Company (US) 2015-10-07 EP disclosed
EP-2920165-A1 DIHYDROPYRAZOLE GPR40 MODULATORS Bristol-Myers Squibb Company (US) 2015-09-23 EP disclosed
US-9133163-B2 Dihydropyrazole GPR40 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-09-15 US disclosed
CN-104903296-A Dihydropyrazole GPR40 modulators BRISTOL MYERS SQUIBB CO 2015-09-09 CN disclosed
CN-104812748-A Dihydropyrazole GPR40 modulators BRISTOL MYERS SQUIBB CO 2015-07-29 CN disclosed
WO-2014078610-A1 DIHYDROPYRAZOLE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-22 WO disclosed
WO-2014078608-A1 DIHYDROPYRAZOLE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-22 WO disclosed
WO-2014078611-A1 DIHYDROPYRAZOLE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-22 WO disclosed
US-20140142139-A1 DIHYDROPYRAZOLE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2014-05-22 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 (3 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-20160280659-A1 DIHYDROPYRAZOLE GPR40 MODULATORS GPR55, GPR35, GPR65 GAA 4063/4885SMN1; SMN2 4750/4885MAPT 3588/4885
US-20160297797-A1 DIHYDROPYRAZOLE GPR40 MODULATORS GPR55, GPR65, GPR35 GAA 3939/4885SMN1; SMN2 4736/4885MAPT 3496/4885
US-20140142139-A1 DIHYDROPYRAZOLE GPR40 MODULATORS GPR55, GPR35, GPR65 GAA 4063/4885SMN1; SMN2 4750/4885MAPT 3588/4885

“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.