Sugi Predict

Sugi Predict / Compounds / SCHEMBL3101558

SCHEMBL3101558

SCHEMBL3101558

O=C(O)c1cc(-c2ccc(F)cc2)no1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 7/20 0.64
▸ MEN1 O00255 1/20 0.61
▸ ALDH1A1 P00352 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ MAPT P10636 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ RAB9A P51151 3/20 0.51
▸ CSGALNACT1 Q8TDX6 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ CA12 O43570 1/20 0.49
▸ ALPL P05186 1/20 0.49
▸ RPA1 P27694 1/20 0.49
▸ PTGS2 P35354 1/20 0.47
▸ HCAR2 Q8TDS4 1/20 0.46
▸ NPC1 O15118 1/20 0.44
▸ EPHX2 P34913 1/20 0.44
▸ BCL2L1 Q07817 1/20 0.44
▸ BAD Q92934 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44

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
SCHEMBL11619922 0.91 PTPN1 (0.57) PTPN1MEN1ALDH1A1KMT2AMAPT
SCHEMBL2295862 0.89 MEN1 (0.68) PTPN1MEN1ALDH1A1KMT2AMAPT
SCHEMBL14814448 0.85 MEN1 (0.56) PTPN1MEN1ALDH1A1KMT2AMAPT
SCHEMBL17883944 0.85 MEN1 (0.56) PTPN1MEN1ALDH1A1KMT2AMAPT
SCHEMBL15919682 0.84 PTPN1 (0.56) PTPN1MEN1ALDH1A1KMT2AMAPT
SCHEMBL212382 0.84 RAB9A (0.68) PTPN1MEN1ALDH1A1KMT2AMAPT
SCHEMBL3611504 0.83 PTPN1 (0.57) PTPN1MEN1ALDH1A1KMT2AMAPT
SCHEMBL8880032 0.83 HCAR2 (0.55) PTPN1MEN1KMT2AMAPTLMNA
Hydrochloric Acid SCHEMBL8880218 0.82 RAB9A (0.66) PTPN1MEN1ALDH1A1KMT2AMAPT
SCHEMBL212114 0.82 NR4A1 (0.55) PTPN1MEN1ALDH1A1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242671-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2008-10-02 — — US claimed
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-11 — — US disclosed
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-11 — — US disclosed
EP-4149945-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2023-03-22 — — EP disclosed
WO-2021229302-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2021-11-18 — — WO disclosed
US-9855249-B2 Isoxazole compounds and methods for the treatment of cystic fibrosis FLATLEY DISCOVERY LAB, LLC (US) 2018-01-02 — — US disclosed
US-9855249-B2 Isoxazole compounds and methods for the treatment of cystic fibrosis FLATLEY DISCOVERY LAB, LLC (US) 2018-01-02 — — US disclosed
EP-2595989-B1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2016-07-13 — — EP disclosed
US-20160128984-A1 ISOXAZOLE COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB, LLC 2016-05-12 — — US disclosed
US-20160128984-A1 ISOXAZOLE COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB, LLC 2016-05-12 — — US disclosed
US-8324250-B2 Piperidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-12-04 — — US disclosed
CN-102781915-A Diacylglycerol acyltransferase inhibitors PIRAMAL LIFE SCIENCES LTD 2012-11-14 — — CN disclosed
US-20120202794-A1 COMPOUNDS PHARMASSET, INC. (US) 2012-08-09 — — US disclosed
WO-2012103113-A1 PYRAZINE AND IMIDAZOLIDINE DERIVATIVES AND THEIR USES TO TREAT HEPATITIS C GILEAD PHARMASSET, LLC (US) 2012-08-02 — — WO disclosed
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-10-07 — — US disclosed
US-20080242671-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2008-10-02 — — US disclosed
US-7384970-B2 Inhibitors of cathepsin S IRM LLC (BM) 2008-06-10 — — US disclosed
CN-1687075-A 3-phenyl iso-oxazole-5-aminocarbonyl substituted beta-lactam derivative and application TIANJIN MEDICINE INST (CN) 2005-10-26 — — CN disclosed
US-20040248887-A1 Inhibitors of cathepsin S IRM LLC (BM) 2004-12-09 — — US disclosed
WO-2004084843-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 — — 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 (6 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-20120202794-A1 COMPOUNDS HAVCR2, MAVS, GOT2 PTPN1 3220/4885MEN1 4868/4885ALDH1A1 253/4885
US-20040248887-A1 Inhibitors of cathepsin S CTSS, CTSB, CTSZ PTPN1 3059/4885MEN1 3815/4885ALDH1A1 3512/4885
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME SLC10A1, NR1H4, SLC10A2 PTPN1 2467/4885MEN1 2472/4885ALDH1A1 3140/4885
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HTR3A, OPRL1, OPRK1 PTPN1 1883/4885MEN1 4869/4885ALDH1A1 480/4885
US-20080242671-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ PTPN1 3059/4885MEN1 3815/4885ALDH1A1 3512/4885
US-20160128984-A1 ISOXAZOLE COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, SERPINB1, ELANE PTPN1 4599/4885MEN1 4113/4885ALDH1A1 507/4885

“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.