Sugi Predict

Sugi Predict / Compounds / SCHEMBL317776

SCHEMBL317776

SCHEMBL317776

O=[N+]([O-])c1cc[c]cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.42
▸ TSHR P16473 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ ALOX15 P16050 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ TXNRD1 Q16881 1/20 0.42
▸ TXNRD3 Q86VQ6 1/20 0.42
▸ TXNRD2 Q9NNW7 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ SIRT6 Q8N6T7 1/20 0.40
▸ AR P10275 11/20 0.39
▸ LMNA P02545 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ PGR P06401 2/20 0.39
▸ CES2 O00748 1/20 0.39
▸ ABCB11 O95342 1/20 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
SCHEMBL147979 0.85 KIF11 (0.41) CYP3A4TSHRALDH1A1ALOX15HPGD
SCHEMBL2973487 0.81 KIF11 (0.30) KIF11
SCHEMBL29009357 0.79 ALDH1A1 (0.44) CYP3A4ALDH1A1HPGDHIF1ATDP1
SCHEMBL57882 0.76 TSHR (0.40) CYP3A4TSHRALDH1A1ALOX15TDP1
SCHEMBL10813870 0.75 ALDH1A1 (0.37) CYP3A4TSHRALDH1A1ALOX15HPGD
SCHEMBL407090 0.75 TDP1 (0.48) CYP3A4TSHRALDH1A1HPGDHIF1A
SCHEMBL15111252 0.74 NPC1 (0.39) CYP3A4TSHRALDH1A1ALOX15HPGD
SCHEMBL4669684 0.74 AKR1C3 (0.48) CYP3A4ALDH1A1ARCYP1A2CYP2C19
SCHEMBL7500593 0.73 CYP3A4 (0.44) CYP3A4TSHRALDH1A1ALOX15HPGD
SCHEMBL29190084 0.73 ALDH1A1 (0.49) CYP3A4TSHRALDH1A1ALOX15HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114213353-A Aryl-oxazole-oxazoline compound and preparation method and application thereof 贵州大学 2022-03-22 — — CN claimed
EP-3050873-B1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2017-09-13 — — EP claimed
CN-105837525-A 2, 4-diamine-1, 3, 5-triazine compound and preparation method and application thereof 浙江工业大学 2016-08-10 — — CN claimed
EP-3050873-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2016-08-03 — — EP claimed
EP-2651893-B1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2016-03-30 — — EP claimed
EP-2385042-B1 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2015-11-25 — — EP claimed
CN-102105556-B Pressure activatable chemiluminescent system useful for covert intrusion detection CYALUME TECHNOLOGIES INC 2014-12-17 — — CN claimed
US-8754209-B2 Indazole derivatives or pharmaceutically acceptable salts thereof as protein kinase inhibitors for proliferative diseases treatment, and a pharmaceutical composition containing the same as an active ingredient KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-06-17 — — US claimed
EP-2651893-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS Allergan, Inc. (US) 2013-10-23 — — EP claimed
EP-2585069-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN Janssen Pharmaceutica, N.V. (BE) 2013-05-01 — — EP claimed
CN-1835937-A Novel thiazoline derivatives as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2006-09-20 — — CN claimed
EP-1656360-A1 THIAZOLINE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-17 — — EP claimed
US-20060100219-A1 Novel bradykinin-B1 antagonists, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-11 — — US claimed
WO-2006048209-A1 NOVEL BRADYKININ B1 ANTAGONISTS, METHOD FOR PRODUCING THE SAME AND THE USE THEREOF AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-11 — — WO claimed
US-20050014952-A1 Novel thiazoline derivatives as selective androgen receptor modulators (SARMS) JASSEN PHARMACEUTICA N.V. (BE) 2005-01-20 — — US claimed
WO-2004113309-A1 THIAZOLINE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2004-12-29 — — WO claimed
CN-1553802-A Camptothecin derivatives ����������̫ƽ��ҽѧ���� 2004-12-08 — — CN claimed
EP-1353673-A1 CAMPTOTHECIN DERIVATIVES California Pacific Medical Center (US) 2003-10-22 — — EP claimed
WO-2002056885-A1 CAMPTOTHECIN DERIVATIVES CALIFORNIA PACIFIC MEDICAL CENTER (US) 2002-07-25 — — WO claimed
US-6350756-B1 USEFUL FOR TREATING CANCER; (20S) ESTERS WITH AN OXYALKANOIC ACID; CALIFORNIA PACIFIC MEDICAL CENTER 2002-02-26 — — US claimed

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-20050014952-A1 Novel thiazoline derivatives as selective androgen receptor modulators (SARMS) AR, NR5A1, NR5A2 CYP3A4 359/4885TSHR 135/4885ALDH1A1 512/4885
US-20060100219-A1 Novel bradykinin-B1 antagonists, process for their preparation and their use as medicaments BDKRB1, BDKRB2, MRGPRX1 CYP3A4 1654/4885TSHR 1943/4885ALDH1A1 3179/4885

“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.