Sugi Predict

Sugi Predict / Compounds / SCHEMBL2774758

SCHEMBL2774758

SCHEMBL2774758

CCc1cc2c(=O)n(CCO[Si](C)(C)C(C)(C)C)c(=O)[nH]c2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.46
▸ HTT P42858 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ QPCT Q16769 4/20 0.43
▸ DUT P33316 2/20 0.41
▸ CYP2C9 P11712 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ CYP1A2 P05177 2/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ TMIGD3 P0DMS9 2/20 0.35
▸ ADRA1A P35348 1/20 0.34
▸ ADRA1B P35368 1/20 0.34
▸ GAA P10253 2/20 0.33
▸ GLA P06280 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL2773547 0.83 ALDH1A1 (0.52) ALDH1A1HTTLMNAQPCTCYP2C9
SCHEMBL2774258 0.77 ALDH1A1 (0.54) ALDH1A1HTTLMNAQPCTCYP2C9
SCHEMBL14945647 0.77 DUT (0.37) QPCTDUTADORA1
SCHEMBL14945705 0.74 ADORA2B (0.56) ALDH1A1HTTDUTADRA1AADRA1B
SCHEMBL13311111 0.73 ALDH1A1 (0.43) ALDH1A1HTTLMNAQPCTCYP2C9
SCHEMBL2775047 0.73 ADORA2B (0.54) ALDH1A1HTTLMNAQPCTCYP2C9
SCHEMBL2773068 0.72 ALDH1A1 (0.49) ALDH1A1HTTLMNAQPCTCYP2C9
SCHEMBL2777323 0.71 POLB (0.52) ALDH1A1HTTLMNAQPCTCYP2C9
SCHEMBL2776971 0.71 ALDH1A1 (0.48) ALDH1A1HTTLMNAQPCTCYP2C9
SCHEMBL14945614 0.71 ADORA2B (0.42) ALDH1A1LMNAHPGDKDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501750-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 — — US disclosed
US-8501750-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 — — US disclosed
US-8501750-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 — — US disclosed
EP-2253630-A1 Heterocyclic compound and use thereof Takeda Pharmaceutical Company Limited (JP) 2010-11-24 — — EP disclosed
US-20100137281-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-03 — — US disclosed
US-20100137281-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-03 — — US disclosed
EP-2151440-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-02-10 — — EP 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 (1 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-20100137281-A1 HETEROCYCLIC COMPOUND AND USE THEREOF PCSK9, APOB, REN ALDH1A1 1296/4885HTT 55/4885LMNA 552/4885

“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.