Sugi Predict

Sugi Predict / Compounds / SCHEMBL18304547

SCHEMBL18304547

SCHEMBL18304547

COC(=O)c1cc(COS(C)(=O)=O)cc(O[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ MRGPRX4 Q96LA9 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ ALPL P05186 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ LOXL2 Q9Y4K0 1/20 0.32
▸ PTPRB P23467 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ CYP4F2 P78329 1/20 0.32
▸ CYP4A11 Q02928 1/20 0.32
▸ NOTUM Q6P988 1/20 0.32

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
SCHEMBL18304376 0.85 ALDH1A1 (0.34) PREPCA12CA1CA2CA7
SCHEMBL18304545 0.82 CYP4A11 (0.38) PREPCA12CA1CA2CA7
SCHEMBL4402201 0.82 ALDH1A1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL18304556 0.81 LOXL2 (0.48) PREPCA12CA1CA2CA7
SCHEMBL17570969 0.80 CA1 (0.48) CA12CA1CA2CA7CA9
SCHEMBL18304558 0.80 KDM4E (0.44) CA12CA1CA2CA7CA9
SCHEMBL6625609 0.80 KDM4E (0.44) PREPCA12CA1CA2CA7
SCHEMBL8818840 0.79 CA1 (0.58) PREPCA12CA1CA2CA7
SCHEMBL23017630 0.77 NOTUM (0.47) CA12CA1CA2CA7CA9
SCHEMBL31385499 0.77 NOTUM (0.47) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200115339-A1 EFFLUX-PUMP INHIBITORS AND THERAPEUTIC USES THEREOF Basilea Pharmaceutica International AG (CH) 2020-04-16 — — US disclosed
US-10464896-B2 Efflux-pump inhibitors and therapeutic uses thereof Basilea Pharmaceutica International AG (CH) 2019-11-05 — — US disclosed
US-20180179158-A1 EFFLUX-PUMP INHIBITORS AND THERAPEUTIC USES THEREOF Basilea Pharmaceutica International AG (CH) 2018-06-28 — — US disclosed
EP-3307725-A1 EFFLUX-PUMP INHIBITORS AND THERAPEUTIC USES THEREOF Basilea Pharmaceutica International AG (CH) 2018-04-18 — — EP disclosed
WO-2016198691-A1 EFFLUX-PUMP INHIBITORS AND THERAPEUTIC USES THEREOF BASILEA PHARMACEUTICA AG (CH) 2016-12-15 — — 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 (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-20200115339-A1 EFFLUX-PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCC1, ABCC3 PREP 2164/4885CA12 1663/4885CA1 1196/4885
US-10464896-B2 Efflux-pump inhibitors and therapeutic uses thereof ABCB11, ABCC1, ABCC3 PREP 2140/4885CA12 1703/4885CA1 1250/4885
US-20180179158-A1 EFFLUX-PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCC1, ABCC3 PREP 2140/4885CA12 1703/4885CA1 1250/4885

“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.