Sugi Predict

Sugi Predict / Compounds / SCHEMBL540105

SCHEMBL540105

SCHEMBL540105

C=C(c1cccc([N+](=O)[O-])c1)C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.59
▸ CES1 P23141 1/20 0.59
▸ TP53 P04637 1/20 0.57
▸ ALDH1A1 P00352 5/20 0.56
▸ TSHR P16473 4/20 0.56
▸ PRSS1 P07477 1/20 0.53
▸ PRSS2 P07478 1/20 0.53
▸ PRSS3 P35030 1/20 0.53
▸ LMNA P02545 1/20 0.52
▸ KMT2A Q03164 5/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ ALOX15 P16050 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.47
▸ MAPT P10636 4/20 0.46
▸ HTT P42858 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ CTDSP1 Q9GZU7 1/20 0.46
▸ MITF O75030 1/20 0.46
▸ HSP90AA1 P07900 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
SCHEMBL30755343 1.00 CES2 (0.59) CES2CES1TP53ALDH1A1TSHR
SCHEMBL923488 0.81 CES2 (0.66) CES2CES1TP53ALDH1A1TSHR
SCHEMBL14880709 0.80 CES2 (0.69) CES2CES1TP53ALDH1A1TSHR
SCHEMBL18029679 0.80 PRSS1 (0.61) CES2CES1TP53ALDH1A1TSHR
SCHEMBL3604638 0.80 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL27344495 0.79 CES1 (0.53) CES2CES1ALDH1A1TSHRLMNA
SCHEMBL6627375 0.78 CES2 (0.56) CES2CES1TP53ALDH1A1TSHR
SCHEMBL6851521 0.78 CES2 (0.56) CES2CES1TP53ALDH1A1TSHR
SCHEMBL9452381 0.77 ALDH1A1 (0.71) CES2CES1TP53ALDH1A1TSHR
SCHEMBL27983482 0.77 ALDH1A1 (0.71) CES2CES1TP53ALDH1A1TSHR

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260034123-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS INC (US) 2026-02-05 — — US disclosed
US-20230174507-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD. (IL) 2023-06-08 — — US disclosed
US-20230174507-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD. (IL) 2023-06-08 — — US disclosed
WO-2021229571-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD (IL) 2021-11-18 — — WO disclosed
CN-104277032-B PESTICIDAL (HETERO) ARYLPYRROLIDINES 拜耳作物科学公司 2017-04-12 — — CN disclosed
EP-3095780-A1 PESTICIDAL ARYLPYRROLIDINES Bayer Intellectual Property GmbH (DE) 2016-11-23 — — EP disclosed
US-9271499-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-03-01 — — US disclosed
US-9266830-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-23 — — US disclosed
CN-103483235-B The aryl pyrrolidines of desinsection BAYER LANDWIRTSCHAFTLICHE KULTURPFLANZEN SCIENCE AG (DE) 2015-09-09 — — CN disclosed
US-20150152086-A1 Insecticidal Aryl Pyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-04 — — US disclosed
EP-2148853-B1 INSECTICIDAL ARYL PYRROLIDINES BAYER CROPSCIENCE AG (DE) 2012-02-08 — — EP disclosed
CN-102186816-A Insecticidal arylpyrrolidines BAYER CROPSCIENCE AG 2011-09-14 — — CN disclosed
US-20110082175-A1 INSECTICIDAL ARYL PYRROLIDINES BAYER CROPSCIENCE AG (DE) 2011-04-07 — — US disclosed
US-20100216792-A1 Pesticidal arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2010-08-26 — — US disclosed
CN-101663261-A Insecticidal arylpyrrolidines BAYER CROPSCIENCE AG 2010-03-03 — — CN disclosed
EP-2148853-A1 INSECTICIDAL ARYL PYRROLIDINES BAYER CROPSCIENCE AG (DE) 2010-02-03 — — EP disclosed
WO-2008128711-A1 INSECTICIDAL ARYL PYRROLIDINES BAYER CROPSCIENCE AG (DE) 2008-10-30 — — WO disclosed
CN-1108659-A Trifluoroisopropenyl zinc reagent and its derivate application SHANGHAI INST ORGANIC CHEM (CN) 1995-09-20 — — CN disclosed
CN-1027539-C Preparation method of fluorine-containing isopropenyl zinc reagent and derivative thereof SHANGHAI INST ORGANIC CHEM (CN) 1995-02-01 — — CN disclosed
CN-1051911-A Trifluoroisopropenyl zinc reagent and derivative, preparation and application thereof SHANGHAI ORGANIC CHEMESTRY INS (CN) 1991-06-05 — — CN 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 (5 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-20260034123-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CDK2, CDK1, CDK20 CES2 4190/4885CES1 2645/4885TP53 647/4885
US-20230174507-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF ACSS2, ADSS2, GLS2 CES2 202/4885CES1 80/4885TP53 3015/4885
US-20150152086-A1 Insecticidal Aryl Pyrrolidines DDT, ITPR3, CYP51A1 CES2 270/4885CES1 523/4885TP53 4846/4885
US-20110082175-A1 INSECTICIDAL ARYL PYRROLIDINES DDT, ITPR3, CYP51A1 CES2 270/4885CES1 523/4885TP53 4846/4885
US-20100216792-A1 Pesticidal arylpyrrolidines DDT, AADAC, AHR CES2 382/4885CES1 944/4885TP53 4544/4885

“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.