Sugi Predict

Sugi Predict / Compounds / SCHEMBL3892476

SCHEMBL3892476

SCHEMBL3892476

C=Cc1cc(C=O)ccc1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.36
▸ TSHR P16473 1/20 0.36
▸ PTGS2 P35354 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CYP2A6 P11509 5/20 0.34
▸ ALDH1A3 P47895 1/20 0.34
▸ KIF11 P52732 1/20 0.34
▸ TDP1 Q9NUW8 2/20 0.33
▸ AOX1 Q06278 1/20 0.33
▸ TRIM24 O15164 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALDH5A1 P51649 1/20 0.33
▸ ABAT P80404 1/20 0.33
▸ TRIM33 Q9UPN9 1/20 0.33
▸ GABBR2 O75899 1/20 0.33
▸ GABBR1 Q9UBS5 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.32
▸ FDPS P14324 1/20 0.32
▸ PTGS1 P23219 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
SCHEMBL30972491 0.86 ALDH1A1 (0.39) ALDH1A1TSHRPTGS2KDM4ERAB9A
SCHEMBL9712472 0.81 KIF11 (0.49) ALDH1A1TSHRPTGS2KDM4ERAB9A
SCHEMBL11328597 0.78 ALDH1A1 (0.42) ALDH1A1TSHRPTGS2KDM4ERAB9A
SCHEMBL9798193 0.76 ALDH1A1 (0.43) ALDH1A1TSHRPTGS2KDM4ERAB9A
SCHEMBL24476022 0.75 CYP2A6 (0.43) ALDH1A1TSHRPTGS2KDM4ERAB9A
SCHEMBL19543117 0.75 ALDH1A1 (0.44) ALDH1A1TSHRPTGS2KDM4ERAB9A
SCHEMBL29818708 0.75 ALDH1A1 (0.39) ALDH1A1TSHRPTGS2KDM4ERAB9A
SCHEMBL28331091 0.74 ALDH1A1 (0.41) ALDH1A1TSHRPTGS2KDM4ERAB9A
SCHEMBL13889292 0.73 ALDH1A1 (0.38) ALDH1A1TSHRPTGS2KDM4ERAB9A
SCHEMBL321346 0.73 ALDH1A3 (0.47) ALDH1A1TSHRPTGS2KDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090324544-A1 SUBSTITUTED CYCLIC PYRROLIDINE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-12-31 — — US claimed
US-20090326019-A1 3,4-BICYCLIC PYRROLIDINE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2009-12-31 — — US claimed
US-20090233972-A1 SUBSTITUTED HETEROCYCLES AS ANTI-INFECTIVES ENANTA PHARMACEUTICALS, INC. 2009-09-17 — — US claimed
US-20090060874-A1 BICYCLIC PYRROLIDINE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-03-05 — — US claimed
US-20090053175-A1 SUBSTITUTE PYRROLIDINE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-02-26 — — US claimed
US-20090047247-A1 Pyrrolidine Derivatives ENANTA PHARMACEUTICALS, INC. 2009-02-19 — — US claimed
US-20090022689-A1 C4-SPIRO-PYRROLIDINE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2009-01-22 — — US claimed
US-20090004140-A1 4-SUBSTITUTED PYRROLIDINE AS ANTI-INFECTIVES ENANTA PHARMACEUTICALS, INC. 2009-01-01 — — US claimed
US-20090324544-A1 SUBSTITUTED CYCLIC PYRROLIDINE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-12-31 — — 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
WO-2009003009-A1 SUBSTITUTED PYRROLIDINE AS ANTI-INFECTIVES ENANTA PHARMACEUTICALS, INC. (US) 2008-12-31 — — 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 (8 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 494/4885TSHR 4599/4885PTGS2 1265/4885
US-20090004140-A1 4-SUBSTITUTED PYRROLIDINE AS ANTI-INFECTIVES EIF2AK2, RNGTT, POLR2E ALDH1A1 539/4885TSHR 4423/4885PTGS2 1020/4885
US-20090324544-A1 SUBSTITUTED CYCLIC PYRROLIDINE DERIVATIVES EIF2AK2, NSUN2, RNMT ALDH1A1 740/4885TSHR 4282/4885PTGS2 960/4885
US-20090022689-A1 C4-SPIRO-PYRROLIDINE ANTIVIRALS ZC3HAV1, HAVCR2, HCCS ALDH1A1 274/4885TSHR 3837/4885PTGS2 2231/4885
US-20090053175-A1 SUBSTITUTE PYRROLIDINE DERIVATIVES POLRMT, EIF2AK2, NSUN2 ALDH1A1 442/4885TSHR 4296/4885PTGS2 955/4885
US-20090060874-A1 BICYCLIC PYRROLIDINE DERIVATIVES EIF2AK2, ZC3HAV1, POLRMT ALDH1A1 616/4885TSHR 4514/4885PTGS2 1198/4885
US-20090233972-A1 SUBSTITUTED HETEROCYCLES AS ANTI-INFECTIVES HAVCR2, EIF2AK2, HCCS ALDH1A1 424/4885TSHR 4424/4885PTGS2 1200/4885
US-20090047247-A1 Pyrrolidine Derivatives ZC3HAV1, EIF2AK2, POLRMT ALDH1A1 528/4885TSHR 4355/4885PTGS2 862/4885

“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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