SCHEMBL18304476

SCHEMBL18304476

C=Cc1cc(C(=O)OC)cn(COCC[Si](C)(C)C)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 5/20 0.38
▸ USP2 O75604 1/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ GAA P10253 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ DGAT1 O75907 2/20 0.34
▸ PPARG P37231 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ NCOR2 Q9Y618 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
SCHEMBL18304519 0.90 MAPK10 (0.38) MAPK10USP2SMN1; SMN2GAANPC1
SCHEMBL12913189 0.82 MAPK10 (0.40) MAPK10USP2SMN1; SMN2GAANPC1
SCHEMBL18304450 0.82 MAPK10 (0.56) MAPK10USP2SMN1; SMN2GAACYP1A2
SCHEMBL23163199 0.80 SMN1; SMN2 (0.41) MAPK10USP2SMN1; SMN2GAANPC1
SCHEMBL23163223 0.79 NPC1 (0.40) MAPK10USP2SMN1; SMN2GAANPC1
SCHEMBL30814703 0.76 MAPK10 (0.38) MAPK10USP2SMN1; SMN2GAANPC1
SCHEMBL23320063 0.74 DGAT1 (0.43) SMN1; SMN2GAANPC1ALDH1A1KDM4E
SCHEMBL24724721 0.73 NPC1 (0.40) SMN1; SMN2GAANPC1ALDH1A1KDM4E
SCHEMBL31115329 0.72 DGAT1 (0.31) DGAT1
SCHEMBL30540668 0.72 DGAT1 (0.31) DGAT1

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-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
CN-107709314-A Efflux pump inhibitor and its therapeutic use 巴斯利尔药物国际股份公司 2018-02-16 — — CN 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 MAPK10 1289/4885USP2 3222/4885SMN1; SMN2 3615/4885
US-10464896-B2 Efflux-pump inhibitors and therapeutic uses thereof ABCB11, ABCC1, ABCC3 MAPK10 1285/4885USP2 3165/4885SMN1; SMN2 3660/4885
US-20180179158-A1 EFFLUX-PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCC1, ABCC3 MAPK10 1285/4885USP2 3165/4885SMN1; SMN2 3660/4885

“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.

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