Sugi Predict

Sugi Predict / Compounds / SCHEMBL1974852

SCHEMBL1974852

SCHEMBL1974852

CCCCOC(=O)c1nc(C#C[Si](C)(C)C)c2sccc2c1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 9/20 0.36
▸ TSHR P16473 4/20 0.36
▸ LMNA P02545 3/20 0.36
▸ CYP1A2 P05177 3/20 0.36
▸ CYP2C19 P33261 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ NR1H2 P55055 1/20 0.36
▸ RNASEL Q05823 1/20 0.36
▸ L3MBTL1 Q9Y468 4/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ MMP1 P03956 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MMP12 P39900 1/20 0.33
▸ KDM4E B2RXH2 2/20 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
SCHEMBL1973130 0.86 ESR1 (0.39) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL1973167 0.82 ESR1 (0.43) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL1974634 0.81 ESR1 (0.43) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL1974405 0.80 ESR1 (0.44) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL1972674 0.80 L3MBTL1 (0.45) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL1974155 0.80 ESR1 (0.39) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL1973669 0.80 ESR1 (0.41) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL1975712 0.78 ESR1 (0.43) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL3406557 0.77 ESR1 (0.35) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL1974100 0.77 ESR1 (0.43) ESR1TSHRLMNACYP1A2CYP2C19

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-9000006-B2 Thienopyridine compounds, and methods of use thereof FIBROGEN, INC. (US) 2015-04-07 — — US disclosed
US-20140221422-A1 NOVEL THIENOPYRIDINE COMPOUNDS, AND METHODS OF USE THEREOF FIBROGEN, INC. (US) 2014-08-07 — — US disclosed
US-8703795-B2 Thienopyridine compounds, and methods of use thereof FIBROGEN, INC. (US) 2014-04-22 — — US disclosed
EP-1866318-B1 THIENOPYRIDINE COMPOUNDS, AND METHODS OF USE THEREOF FIBROGEN INC (US) 2011-06-22 — — EP disclosed
EP-1866318-A2 THIENOPYRIDINE COMPOUNDS, AND METHODS OF USE THEREOF FIBROGEN, INC. (US) 2007-12-19 — — EP disclosed
WO-2006094292-A2 THIENOPYRIDINE COMPOUNDS, AND METHODS OF USE THEREOF FIBROGEN, INC. (US) 2006-09-08 — — WO disclosed
US-20060199836-A1 Novel thienopyridine compounds, and methods of use thereof FIBROGEN, INC. 2006-09-07 — — 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 (2 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-20140221422-A1 NOVEL THIENOPYRIDINE COMPOUNDS, AND METHODS OF USE THEREOF HIF1AN, HIF1A, EGLN2 ESR1 3632/4885TSHR 2835/4885LMNA 4317/4885
US-20060199836-A1 Novel thienopyridine compounds, and methods of use thereof HIF1AN, HIF1A, EGLN2 ESR1 3632/4885TSHR 2835/4885LMNA 4317/4885

“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.