Sugi Predict

Sugi Predict / Compounds / SCHEMBL622437

SCHEMBL622437

SCHEMBL622437

CCOC(=O)[C@H]1CN(CCSc2cnc3ccc(OC)cc3n2)CC[C@H]1NC(=O)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CPB1 P15086 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ BRD2 P25440 1/20 0.38
▸ BRD3 Q15059 1/20 0.38
▸ KCNH2 Q12809 5/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ EGFR P00533 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ FGFR1 P11362 1/20 0.37
▸ FGFR2 P21802 1/20 0.37
▸ FGFR4 P22455 1/20 0.37

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
SCHEMBL622791 0.87 LTA4H (0.42) CPB1ALDH1A1MEN1KMT2ANPSR1
SCHEMBL1740662 0.87 LTA4H (0.42) CPB1ALDH1A1MEN1KMT2ANPSR1
SCHEMBL1742281 0.82 FGFR1 (0.41) ALDH1A1MEN1KMT2ANPSR1TAAR1
SCHEMBL622022 0.82 FGFR1 (0.41) ALDH1A1MEN1KMT2ANPSR1TAAR1
SCHEMBL621982 0.78 KMT2A (0.40) ALDH1A1MEN1KMT2ANPSR1TAAR1
SCHEMBL620713 0.72 PIK3CA (0.43) FGFR4
SCHEMBL3707718 0.72 KMT2A (0.47) ALDH1A1MEN1KMT2ANPSR1KCNH2
SCHEMBL706633 0.71 CPB1 (0.62) CPB1ALDH1A1LMNA
SCHEMBL709053 0.71 CPB1 (0.62) CPB1ALDH1A1LMNA
SCHEMBL15662294 0.71 FGFR1 (0.52) ALDH1A1MEN1KMT2AKCNH2KDM4E

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
US-9133219-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-09-15 — — US disclosed
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS Basiliea Pharmaceutica AG 2015-03-19 — — US disclosed
US-8927542-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-01-06 — — US disclosed
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2014-08-07 — — US disclosed
US-8716280-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2014-05-06 — — US disclosed
US-20120040957-A1 Novel Bicyclic Antibiotics BASILEA PHARMACEUTICA AG 2012-02-16 — — US 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 (3 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-20120040957-A1 Novel Bicyclic Antibiotics C5, C1S, CBR3 CPB1 1229/4885ALDH1A1 4235/4885MEN1 907/4885
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH CPB1 1165/4885ALDH1A1 4353/4885MEN1 2968/4885
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH CPB1 1165/4885ALDH1A1 4353/4885MEN1 2968/4885

“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.