SCHEMBL18304558

SCHEMBL18304558

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 1/20 0.44
CA1 P00915 4/20 0.44
CA12 O43570 3/20 0.44
CA9 Q16790 3/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 1/20 0.44
CA14 Q9ULX7 1/20 0.44
POLB P06746 3/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 1/20 0.43
NFKB1 P19838 1/20 0.43
XDH P47989 1/20 0.43
GFER P55789 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
FUT7 Q11130 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
USP2 O75604 1/20 0.42

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
SCHEMBL6625609 0.97 KDM4E (0.44) KDM4EALDH1A1CA1CA12CA9
SCHEMBL18304515 0.92 USP2 (0.40) KDM4EALDH1A1CA1CA12CA9
SCHEMBL8818840 0.92 CA1 (0.58) KDM4EALDH1A1CA1CA12CA9
SCHEMBL16396444 0.91 NOTUM (0.51) KDM4EALDH1A1CA1CA12CA9
SCHEMBL12296671 0.91 ATM (0.45) KDM4EALDH1A1CA1CA12CA9
SCHEMBL31089992 0.87 NOTUM (0.38) KDM4EALDH1A1CA1CA12CA9
SCHEMBL18304545 0.87 CYP4A11 (0.38) KDM4EALDH1A1CA1CA12CA9
SCHEMBL18304556 0.85 LOXL2 (0.48) KDM4EALDH1A1CA1CA12CA9
SCHEMBL4346540 0.84 L3MBTL1 (0.50) ALDH1A1POLBLMNAL3MBTL1MAPT
SCHEMBL8817941 0.83 NOTUM (0.39) KDM4EALDH1A1CA1CA12CA9

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 KDM4E 4652/4885ALDH1A1 347/4885CA1 1196/4885
US-10464896-B2 Efflux-pump inhibitors and therapeutic uses thereof ABCB11, ABCC1, ABCC3 KDM4E 4643/4885ALDH1A1 349/4885CA1 1250/4885
US-20180179158-A1 EFFLUX-PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCC1, ABCC3 KDM4E 4643/4885ALDH1A1 349/4885CA1 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.