Sugi Predict

Sugi Predict / Compounds / SCHEMBL2165779

SCHEMBL2165779

SCHEMBL2165779

O/N=C\c1ccccc1C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 2/20 0.61
▸ GRIN3B O60391 2/20 0.61
▸ GRIN1 Q05586 2/20 0.61
▸ GRIN2A Q12879 2/20 0.61
▸ GRIN2B Q13224 2/20 0.61
▸ GRIN2C Q14957 2/20 0.61
▸ GRIN3A Q8TCU5 2/20 0.61
▸ NFKB1 P19838 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ ALOX12 P18054 1/20 0.50
▸ NPC1 O15118 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ LMNA P02545 2/20 0.49
▸ HPGD P15428 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46

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
SCHEMBL1509426 1.00 GRIN2D (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1509425 1.00 GRIN2D (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30395742 1.00 GRIN2D (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5249834 0.82 ALOX12 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2163873 0.82 ALOX12 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5249832 0.82 ALOX12 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2163875 0.82 ALOX12 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8274383 0.79 ALOX12 (0.70) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5212895 0.79 GRIN2D (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17712821 0.79 GRIN2D (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018059314-A1 AZABICYCLE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2018-04-05 — — WO disclosed
US-7985762-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 — — US disclosed
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 — — US disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 — — US disclosed
US-4808746-A Preparation of trifluoromethylbenzonitrile from trifluoromethylbenzaldehyde CENTRAL GLASS COMPANY, LIMITED (JP) 1989-02-28 — — 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-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 GRIN2D 4664/4885GRIN3B 3788/4885GRIN1 3237/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 GRIN2D 4664/4885GRIN3B 3788/4885GRIN1 3237/4885

“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.