SCHEMBL497720

SCHEMBL497720

COC(=O)c1ccccc1C#C[Si](C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
LMNA P02545 2/20 0.49
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 2/20 0.47
CFTR P13569 1/20 0.47
KDM4E B2RXH2 3/20 0.46
POLB P06746 1/20 0.46
ATM Q13315 1/20 0.46
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA5A P35218 1/20 0.42
CA9 Q16790 1/20 0.42
ALOX15 P16050 1/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL7247097 0.86 FFAR4 (0.44) TSHRLMNAALDH1A1HSD17B10CFTR
SCHEMBL28641980 0.86 CA1 (0.43) TSHRLMNAALDH1A1HSD17B10CFTR
SCHEMBL70467 0.86 TSHR (0.59) TSHRLMNAALDH1A1HSD17B10CFTR
SCHEMBL22124364 0.84 ALDH1A1 (0.46) TSHRLMNAALDH1A1HSD17B10CFTR
SCHEMBL29946551 0.82 TSHR (0.55) TSHRLMNAALDH1A1HSD17B10CFTR
SCHEMBL26620584 0.81 NR4A2 (0.47) LMNAALDH1A1KDM4EKMT2AMAPT
SCHEMBL7244872 0.81 ALDH1A1 (0.38) TSHRLMNAALDH1A1HSD17B10CFTR
SCHEMBL2012936 0.81 ALDH1A1 (0.46) TSHRALDH1A1HSD17B10KDM4EPOLB
SCHEMBL28728276 0.81 FFAR1 (0.47) TSHRLMNAALDH1A1HSD17B10KDM4E
SCHEMBL14997691 0.79 LMNA (0.52) TSHRLMNAALDH1A1HSD17B10CFTR

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240043439-A1 COMPOUNDS AS C5AR INHIBITORS KIRA PHARMACEUTICALS (SUZHOU) LTD. (CN) 2024-02-08 US disclosed
US-20240025890-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2024-01-25 US disclosed
US-20240025890-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2024-01-25 US disclosed
US-20240025890-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2024-01-25 US disclosed
US-11814376-B2 Hepatitis b core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2023-11-14 US disclosed
US-11814376-B2 Hepatitis b core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2023-11-14 US disclosed
US-11814376-B2 Hepatitis b core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2023-11-14 US disclosed
CN-116322683-A Compounds as C5AR inhibitors 科越医药(苏州)有限公司 2023-06-23 CN disclosed
EP-4192816-A1 COMPOUNDS AS C5AR INHIBITORS Kira Pharmaceuticals (Suzhou) Ltd. (CN) 2023-06-14 EP disclosed
EP-3625218-B1 PROCESS FOR HYDROCYANATION OF TERMINAL ALKYNES STUDIENGESELLSCHAFT KOHLE MBH (DE) 2023-03-01 EP disclosed
WO-2017048950-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2017-03-23 WO disclosed
US-8349885-B2 Indole and indazole derivatives having a cell-, tissue- and organ-preserving effect LG LIFE SCIENCES LTD. (KR) 2013-01-08 US disclosed
US-20120270203-A1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT LG CHEM, LTD. (KR) 2012-10-25 US disclosed
US-8106077-B2 Compounds and methods for modulating FXR ELI LILLY AND COMPANY (US) 2012-01-31 US disclosed
US-20110009447-A1 Substituted Benzoic Acid Amides and Use thereof for the Inhibition of Angiogenesis SCHERING AG (DE) 2011-01-13 US disclosed
US-20100291533-A1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT LG LIFE SCIENCES LTD. (KR) 2010-11-18 US disclosed
EP-2029558-B1 COMPOUNDS AND METHODS FOR MODULATING FXR LILLY CO ELI (US) 2010-03-10 EP disclosed
US-20090093524-A1 COMPOUNDS AND METHODS FOR MODULATING FXR JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-04-09 US disclosed
EP-2029558-A2 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2009-03-04 EP disclosed
WO-2007140174-A2 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2007-12-06 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 (7 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-20120270203-A1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT IDO1, IDO2, INMT TSHR 3901/4885LMNA 1945/4885ALDH1A1 287/4885
US-20240025890-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS TSHR 2610/4885LMNA 4706/4885ALDH1A1 4316/4885
US-20240043439-A1 COMPOUNDS AS C5AR INHIBITORS C5AR1, C5AR2, C3AR1 TSHR 565/4885LMNA 2579/4885ALDH1A1 3678/4885
US-11814376-B2 Hepatitis b core protein modulators HAVCR2, FABP1, MAVS TSHR 2610/4885LMNA 4706/4885ALDH1A1 4316/4885
US-20090093524-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NR1H4, SLC10A1, FXR1 TSHR 1439/4885LMNA 2810/4885ALDH1A1 2294/4885
US-20100291533-A1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT IDO1, IDO2, INMT TSHR 3901/4885LMNA 1945/4885ALDH1A1 287/4885
US-20110009447-A1 Substituted Benzoic Acid Amides and Use thereof for the Inhibition of Angiogenesis VEGFA, EGLN2, HIF1AN TSHR 3815/4885LMNA 3771/4885ALDH1A1 155/4885

“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.