Sugi Predict

Sugi Predict / Compounds / SCHEMBL7488207

SCHEMBL7488207

SCHEMBL7488207

COc1ccccc1CN1CCC(CCOS(C)(=O)=O)(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.45
▸ USP2 O75604 4/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ CYP3A4 P08684 4/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ CYP2D6 P10635 7/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ GAA P10253 1/20 0.36
▸ AR P10275 1/20 0.36
▸ TACR1 P25103 2/20 0.36
▸ GRIN2B Q13224 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34

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
SCHEMBL7486265 0.87 TSHR (0.49) TSHRUSP2SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL6998052 0.87 CYP2D6 (0.41) TSHRUSP2ALDH1A1CYP3A4CYP2D6
SCHEMBL6997994 0.86 CYP2D6 (0.37) TSHRUSP2SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL7491346 0.85 TSHR (0.44) TSHRUSP2SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL6994509 0.80 KMT2A (0.37) SMN1; SMN2ALDH1A1GAA
SCHEMBL6998268 0.77 MAPK1 (0.41) ALDH1A1GAAPOLB
SCHEMBL6996096 0.76 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1
SCHEMBL6999648 0.75 KMT2A (0.44) TSHRUSP2CYP3A4CYP2D6POLB
SCHEMBL27404941 0.75 MEN1 (0.36) SMN1; SMN2ALDH1A1GAAPOLB
Fluorobenzene SCHEMBL27383709 0.74 CYP2D6 (0.42) TSHRUSP2ALDH1A1CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0874843-B1 SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL) 1,4]DIAZEPANES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES AVENTIS PHARMA INC (US) 2002-08-07 — — EP disclosed
US-6423704-B2 CROHN'S DISEAS, ANTIULCER AGENTS, ASTHMA, EMESIS AVENTIS PHARMACEUTICALS INC. 2002-07-23 — — US disclosed
US-20010034343-A1 Novel substituted 4-(1H-benzimidazol-2-yl) [1,4]diazepanes useful for the treatment of allergic diseases AVENTIS PHARMACEUTICALS INC. 2001-10-25 — — US disclosed
US-6194406-B1 HISTAMINE RECEPTOR ANTAGONISTS; TACHYKININ RECEPTOR ANTAGONISTS; ASTHMA; BRONCHITIS; INFLAMMATORY BOWEL DISEASES, INCLUDING CROHN'S DISEASE AND ULCERATIVE COLITIS; SEASONAL RHINITIS; SINUSITIS; ANTIALLERGENS; EMETIC AGENTS AVENTIS PHARMACEUTICALS INC. 2001-02-27 — — US disclosed
EP-0874843-A1 NOVEL SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL) 1,4]DIAZEPANES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1998-11-04 — — EP disclosed
WO-1997022604-A1 NOVEL SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL)[1,4]DIAZEPANES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-06-26 — — 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 (1 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-20010034343-A1 Novel substituted 4-(1H-benzimidazol-2-yl) [1,4]diazepanes useful for the treatment of allergic diseases HRH4, HRH2, HRH1 TSHR 667/4885USP2 1909/4885SMN1; SMN2 4541/4885

“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.