Sugi Predict

Sugi Predict / Compounds / SCHEMBL946271

SCHEMBL946271

SCHEMBL946271

O=[N+]([O-])c1ccc(NC2CCC(O)CC2)cc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 6/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ GLA P06280 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ CES2 O00748 1/20 0.52
▸ ABCB11 O95342 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ ADORA3 P0DMS8 1/20 0.52
▸ CHRM1 P11229 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ TBXA2R P21731 1/20 0.52
▸ AADAC P22760 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ ADRA1A P35348 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ HTR6 P50406 1/20 0.52

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
SCHEMBL946269 1.00 AR (0.52) ARCYP3A4GLAALDH1A1CES2
SCHEMBL15353736 0.90 AR (0.47) ARCYP3A4GLAALDH1A1CES2
SCHEMBL12917311 0.90 AR (0.47) ARCYP3A4GLAALDH1A1CES2
SCHEMBL28028086 0.88 AR (0.50) ARCYP3A4GLAALDH1A1CES2
SCHEMBL5923538 0.88 LMNA (0.54) ARCYP3A4GLAALDH1A1CES2
SCHEMBL945095 0.88 CNR2 (0.50) ARCYP3A4GLAALDH1A1CES2
SCHEMBL945097 0.88 CNR2 (0.50) ARCYP3A4GLAALDH1A1CES2
SCHEMBL12916482 0.88 CNR2 (0.50) ARCYP3A4GLAALDH1A1CES2
SCHEMBL23839646 0.87 CNR2 (0.53) ARCYP3A4GLAALDH1A1CES2
SCHEMBL15727592 0.87 LMNA (0.52) ARCYP3A4GLAALDH1A1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3247701-B1 ANTHELMINTIC COMPOUNDS, COMPOSITIONS AND METHOD OF USING THEREOF BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2021-09-22 — — EP disclosed
EP-3428162-B1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2021-05-05 — — EP disclosed
US-10597364-B2 Anthelmintic compounds, compositions and method of using thereof Boehringer Ingelheim Animal Health USA Inc. (US) 2020-03-24 — — US disclosed
EP-3428162-A1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF Merial Inc. (US) 2019-01-16 — — EP disclosed
US-10155725-B2 Anthelmintic compounds and compositions and method of using thereof MERIAL, INC. (US) 2018-12-18 — — US disclosed
US-20180280367-A1 USE OF ANTHELMINTIC AGENTS AGAINST DIROFILARIA IMMITIS INTERVET INC. (US) 2018-10-04 — — US disclosed
US-10010538-B2 Use of anthelmintic agents against Dirofilaria immitis INTERVET INC. (US) 2018-07-03 — — US disclosed
CN-104884453-B Anthelmintic compounds and compositions and methods of using the same 梅里亚股份有限公司 2018-06-22 — — CN disclosed
EP-2922845-B1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL INC (US) 2018-06-20 — — EP disclosed
US-20180009754-A1 ANTHELMINTIC COMPOUNDS, COMPOSITIONS AND METHOD OF USING THEREOF MERIAL, INC. (US) 2018-01-11 — — US disclosed
CN-102459186-A Anthelmintic agents and uses thereof ANTHELMINTIC AGENTS AND THEIR USE 2012-05-16 — — CN disclosed
EP-2443091-A1 ANTHELMINTIC AGENTS AND THEIR USE Intervet International B.V. (NL) 2012-04-25 — — EP disclosed
US-20120094981-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2012-04-19 — — US disclosed
US-20110021506-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-01-27 — — US disclosed
US-20110021506-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-01-27 — — US disclosed
US-20110021506-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-01-27 — — US disclosed
WO-2010146083-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2010-12-23 — — WO disclosed
EP-2234973-A1 ANTHELMINTIC AGENTS AND THEIR USE Intervet International B.V. (NL) 2010-10-06 — — EP disclosed
WO-2009077527-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2009-06-25 — — WO disclosed
WO-2009077527-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2009-06-25 — — 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 (7 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-20110021506-A1 ANTHELMINTIC AGENTS AND THEIR USE ACHE, ABCB11, MPO AR 4080/4885CYP3A4 272/4885GLA 2716/4885
US-10597364-B2 Anthelmintic compounds, compositions and method of using thereof CYP8B1, CYP2C8, CYP2B6 AR 3710/4885CYP3A4 111/4885GLA 2579/4885
US-20180280367-A1 USE OF ANTHELMINTIC AGENTS AGAINST DIROFILARIA IMMITIS MPO, DHODH, DHX35 AR 4521/4885CYP3A4 481/4885GLA 3202/4885
US-10010538-B2 Use of anthelmintic agents against Dirofilaria immitis MPO, DHODH, DHX35 AR 4521/4885CYP3A4 481/4885GLA 3202/4885
US-10155725-B2 Anthelmintic compounds and compositions and method of using thereof CYP3A5, ABCC5, CXXC5 AR 3315/4885CYP3A4 58/4885GLA 2902/4885
US-20180009754-A1 ANTHELMINTIC COMPOUNDS, COMPOSITIONS AND METHOD OF USING THEREOF CYP8B1, CYP2C8, CYP2B6 AR 3710/4885CYP3A4 111/4885GLA 2579/4885
US-20120094981-A1 ANTHELMINTIC AGENTS AND THEIR USE ABCB11, ACHE, CMA1 AR 4346/4885CYP3A4 148/4885GLA 2173/4885

“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.