Sugi Predict

Sugi Predict / Compounds / SCHEMBL7085218

SCHEMBL7085218

SCHEMBL7085218

O=C(C[N+](=O)[O-])c1ccccc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 11/20 0.51
▸ WNT3A P56704 11/20 0.51
▸ LMNA P02545 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ CNR2 P34972 1/20 0.40
▸ RORC P51449 1/20 0.39
▸ PTGS1 P23219 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
SCHEMBL19244850 0.80 LMNA (0.41) CTNNB1WNT3ALMNAGAACNR2
SCHEMBL12064972 0.79 LMNA (0.42) CTNNB1WNT3ALMNAGAACNR2
SCHEMBL30089582 0.78 CTNNB1 (0.75) CTNNB1WNT3ALMNAGAACNR2
SCHEMBL7086173 0.78 KCNK3 (0.50) RORCPTGS1
SCHEMBL19858887 0.77 CTNNB1 (0.58) CTNNB1WNT3ALMNAGAACNR2
SCHEMBL2073272 0.77 CTNNB1 (0.58) CTNNB1WNT3ALMNAGAACNR2
SCHEMBL7088356 0.76 KCNK3 (0.42) GAA
SCHEMBL27219440 0.76 CTNNB1 (0.51) CTNNB1WNT3ALMNAGAA
SCHEMBL2092338 0.75 CTNNB1 (0.57) CTNNB1WNT3ALMNAGAACNR2
SCHEMBL1950901 0.75 CTNNB1 (0.57) CTNNB1WNT3ALMNAGAACNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106916087-B A kind of synthetic method of the fluoro- 6- trifluoromethyls benzene sulfonyl chlorides of 2- 沈阳化工研究院有限公司 2018-08-14 — — CN disclosed
CN-106916087-A A kind of synthetic method of the fluoro- 6- trifluoromethyls benzene sulfonyl chlorides of 2- 沈阳化工研究院有限公司 2017-07-04 — — CN disclosed
US-20030171422-A1 New nitromethyl ketones, process for preparing them and compositions containing them MERCK PATENT GMBH (DE) 2003-09-11 — — US disclosed
US-6559185-B2 Nitromethyl ketone compounds having aldose reduction inhibiting properties and methods for their use MERCK PATENT GMBH (DE) 2003-05-06 — — US disclosed
US-20030069312-A1 Antidiabetic agents LARDY CLAUDE (FR) 2003-04-10 — — US disclosed
US-6043281-A ALDOSE REDUCTASE INHIBITORS; TREATMENT OR PREVENTION OF COMPLICATIONS OF DIABETES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-03-28 — — US disclosed
EP-0983226-A1 NEW NITROMETHYL KETONES, PROCESS FOR PREPARING THEM AND COMPOSITIONS CONTAINING THEM MERCK PATENT GmbH (DE) 2000-03-08 — — EP disclosed
US-5932765-A REDUCTASE INHIBITORS MERCK PATENT GESELLSCHAFT MIT (DE) 1999-08-03 — — US disclosed
WO-1998052906-A1 NEW NITROMETHYL KETONES, PROCESS FOR PREPARING THEM AND COMPOSITIONS CONTAINING THEM MERCK PATENT GMBH (DE) 1998-11-26 — — WO 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-20030069312-A1 Antidiabetic agents SLC5A1, SLC5A2, GPR119 CTNNB1 2447/4885WNT3A 3544/4885LMNA 1633/4885
US-20030171422-A1 New nitromethyl ketones, process for preparing them and compositions containing them AKR1B1, AKR1A1, AKR1C1 CTNNB1 2655/4885WNT3A 4149/4885LMNA 578/4885

“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.