SCHEMBL3406557

SCHEMBL3406557

CCCCOC(=O)c1nc(C#C[Si](C)(C)C)c2snc(C)c2c1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.35
L3MBTL1 Q9Y468 4/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 3/20 0.33
TSHR P16473 3/20 0.32
ATM Q13315 3/20 0.32
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
NR1H2 P55055 1/20 0.32
RNASEL Q05823 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL3402955 0.83 ESR1 (0.42) ESR1L3MBTL1NPC1RAB9AKDM4E
SCHEMBL3401248 0.82 ESR1 (0.41) ESR1L3MBTL1NPC1RAB9AKDM4E
SCHEMBL3401833 0.82 ESR1 (0.41) ESR1L3MBTL1NPC1RAB9AKDM4E
SCHEMBL3407508 0.81 ESR1 (0.40) ESR1L3MBTL1NPC1RAB9AKDM4E
SCHEMBL3401390 0.79 ESR1 (0.42) ESR1L3MBTL1NPC1RAB9AKDM4E
SCHEMBL3398704 0.78 ESR1 (0.41) ESR1L3MBTL1NPC1RAB9AKDM4E
SCHEMBL1974852 0.77 ESR1 (0.36) ESR1L3MBTL1NPC1RAB9AKDM4E
SCHEMBL3401346 0.77 ESR1 (0.41) ESR1L3MBTL1NPC1RAB9AKDM4E
SCHEMBL3403414 0.76 ESR1 (0.41) ESR1L3MBTL1NPC1RAB9AKDM4E
SCHEMBL3404112 0.75 EGFR (0.43) ESR1L3MBTL1TSHRGAAMAPK1

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-9387200-B2 Isothiazole-pyridine derivatives as modulators of HIF (hypoxia inducible factor) activity FIBROGEN, INC. (US) 2016-07-12 US disclosed
US-20150209336-A1 ISOTHIAZOLE-PYRIDINE DERIVATIVES AS MODULATORS OF HIF (HYPOXIA INDUCIBLE FACTOR) ACTIVITY FIBROGEN, INC. 2015-07-30 US disclosed
US-8952160-B2 Isothiazole-pyridine derivatives as modulators of HIF (hypoxia inducible factor) activity FIBROGEN, INC. (US) 2015-02-10 US disclosed
EP-2252619-B1 ISOTHIAZOLE-PYRIDINE DERIVATIVES AS MODULATORS OF HIF (HYPOXIA INDUCIBLE FACTOR) ACTIVITY FIBROGEN INC (US) 2013-10-09 EP disclosed
US-20100330199-A1 ISOTHIAZOLE-PYRIDINE DERIVATES AS MODULATORS OF HIF (HYPOXIA INDUCIBLE FACTOR) ACTIVITY FIBROGEN, INC. 2010-12-30 US disclosed
EP-2252619-A1 ISOTHIAZOLE-PYRIDINE DERIVATIVES AS MODULATORS OF HIF (HYPOXIA INDUCIBLE FACTOR) ACTIVITY Fibrogen, Inc. (US) 2010-11-24 EP disclosed
WO-2009089547-A1 ISOTHIAZOLE-PYRIDINE DERIVATIVES AS MODULATORS OF HIF (HYPOXIA INDUCIBLE FACTOR) ACTIVITY FIBROGEN, INC. (US) 2009-07-16 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 (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-20100330199-A1 ISOTHIAZOLE-PYRIDINE DERIVATES AS MODULATORS OF HIF (HYPOXIA INDUCIBLE FACTOR) ACTIVITY HIF1A, HIF1AN, EGLN3 ESR1 1776/4885L3MBTL1 4161/4885NPC1 3156/4885
US-20150209336-A1 ISOTHIAZOLE-PYRIDINE DERIVATIVES AS MODULATORS OF HIF (HYPOXIA INDUCIBLE FACTOR) ACTIVITY HIF1A, HIF1AN, EGLN3 ESR1 1465/4885L3MBTL1 4160/4885NPC1 3160/4885

“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.