SCHEMBL3148201

SCHEMBL3148201

CC(C)(C)[Si](C)(C)OCC(N)C(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
BTN3A1 O00481 1/20 0.44
IDO1 P14902 1/20 0.42
SLC1A1 P43005 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ATM Q13315 1/20 0.40
LTA4H P09960 2/20 0.40
SLC15A1 P46059 2/20 0.40
LAP3 P28838 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL17268486 0.84 ALDH1A1 (0.42) ALDH1A1IDO1SLC1A1SMN1; SMN2LTA4H
SCHEMBL5831739 0.83 SLC15A1 (0.47) ALDH1A1BTN3A1ATMSLC15A1CA12
SCHEMBL7417051 0.83 BTN3A1 (0.43) ALDH1A1BTN3A1ATMLTA4HSLC15A1
SCHEMBL27396151 0.81 LTA4H (0.43) ALDH1A1BTN3A1IDO1SLC1A1SMN1; SMN2
SCHEMBL2367427 0.80 ALDH1A1 (0.49) ALDH1A1IDO1SLC1A1SMN1; SMN2LTA4H
SCHEMBL8012615 0.80 ALDH1A1 (0.49) ALDH1A1IDO1SLC1A1SMN1; SMN2LTA4H
Hydrochloric Acid SCHEMBL29401415 0.79 ALDH1A1 (0.47) ALDH1A1IDO1SLC1A1SMN1; SMN2LTA4H
Hydrochloric Acid SCHEMBL29399154 0.79 ALDH1A1 (0.47) ALDH1A1IDO1SLC1A1SMN1; SMN2LTA4H
SCHEMBL13535118 0.79 LTA4H (0.49) ALDH1A1BTN3A1LTA4HSLC15A1LAP3
Hydrochloric Acid SCHEMBL25224887 0.78 ALDH1A1 (0.53) ALDH1A1IDO1SLC1A1SMN1; SMN2LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100135960-A1 ANTIVIRAL ACYLSULFONAMIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-06-03 US disclosed
US-20100074863-A1 ANTI-INFECTIVE PYRROLIDINE DERIVATIVES AND ANALOGS ENANTA PHARMACEUTICALS, INC. 2010-03-25 US disclosed
US-20090326019-A1 3,4-BICYCLIC PYRROLIDINE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2009-12-31 US disclosed
US-20090233972-A1 SUBSTITUTED HETEROCYCLES AS ANTI-INFECTIVES ENANTA PHARMACEUTICALS, INC. 2009-09-17 US disclosed
US-20090060874-A1 BICYCLIC PYRROLIDINE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-03-05 US disclosed
US-20090053175-A1 SUBSTITUTE PYRROLIDINE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-02-26 US disclosed
US-20090047247-A1 Pyrrolidine Derivatives ENANTA PHARMACEUTICALS, INC. 2009-02-19 US disclosed
US-20090022689-A1 C4-SPIRO-PYRROLIDINE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2009-01-22 US disclosed
US-20090004140-A1 4-SUBSTITUTED PYRROLIDINE AS ANTI-INFECTIVES ENANTA PHARMACEUTICALS, INC. 2009-01-01 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 (9 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-20090326019-A1 3,4-BICYCLIC PYRROLIDINE ANTIVIRALS ZC3HAV1, EIF2AK2, POLRMT ALDH1A1 494/4885BTN3A1 3190/4885IDO1 270/4885
US-20090004140-A1 4-SUBSTITUTED PYRROLIDINE AS ANTI-INFECTIVES EIF2AK2, RNGTT, POLR2E ALDH1A1 539/4885BTN3A1 4336/4885IDO1 500/4885
US-20090022689-A1 C4-SPIRO-PYRROLIDINE ANTIVIRALS ZC3HAV1, HAVCR2, HCCS ALDH1A1 274/4885BTN3A1 3984/4885IDO1 1340/4885
US-20090053175-A1 SUBSTITUTE PYRROLIDINE DERIVATIVES POLRMT, EIF2AK2, NSUN2 ALDH1A1 442/4885BTN3A1 4264/4885IDO1 495/4885
US-20100074863-A1 ANTI-INFECTIVE PYRROLIDINE DERIVATIVES AND ANALOGS ZC3HAV1, POLRMT, EIF2AK2 ALDH1A1 1025/4885BTN3A1 4214/4885IDO1 654/4885
US-20090060874-A1 BICYCLIC PYRROLIDINE DERIVATIVES EIF2AK2, ZC3HAV1, POLRMT ALDH1A1 616/4885BTN3A1 3255/4885IDO1 518/4885
US-20090233972-A1 SUBSTITUTED HETEROCYCLES AS ANTI-INFECTIVES HAVCR2, EIF2AK2, HCCS ALDH1A1 424/4885BTN3A1 4020/4885IDO1 976/4885
US-20100135960-A1 ANTIVIRAL ACYLSULFONAMIDE DERIVATIVES EIF2AK2, NSUN3, ACSS2 ALDH1A1 734/4885BTN3A1 4350/4885IDO1 995/4885
US-20090047247-A1 Pyrrolidine Derivatives ZC3HAV1, EIF2AK2, POLRMT ALDH1A1 528/4885BTN3A1 4141/4885IDO1 288/4885

“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.