SCHEMBL732996

SCHEMBL732996

CCOc1cc(C(=O)OC)cc(OC)c1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
LMNA P02545 1/20 0.50
NCOA1 Q15788 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
MAPK1 P28482 1/20 0.49
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
MAPT P10636 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CREBBP Q92793 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 1/20 0.43
NOTUM Q6P988 1/20 0.43

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
SCHEMBL731013 0.95 LMNA (0.50) TSHRLMNANCOA1NCOA3MAPK1
SCHEMBL731344 0.88 MAPT (0.53) TSHRLMNAMAPTL3MBTL1CYP1A2
SCHEMBL9276266 0.86 LMNA (0.51) TSHRLMNANCOA1NCOA3PDE4A
SCHEMBL25902203 0.84 LMNA (0.49) TSHRLMNANCOA1NCOA3MAPT
SCHEMBL401597 0.82 LMNA (0.53) TSHRLMNAMAPK1PDE4APDE4B
SCHEMBL20763257 0.82 KMT2A (0.54) TSHRLMNAMAPK1PDE4APDE4B
SCHEMBL10317176 0.81 HSD17B2 (0.61) LMNAMAPK1MAPTL3MBTL1SMN1; SMN2
SCHEMBL289285 0.81 CA12 (0.55) TSHRLMNANCOA1NCOA3MAPT
SCHEMBL3576601 0.81 LMNA (0.57) TSHRLMNANCOA1NCOA3MAPK1
SCHEMBL8639986 0.81 BPTF (0.56) TSHRMAPK1MAPTCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220298163-A1 BTK INHIBITORS WITH IMPROVED DUAL SELECTIVITY BEIGENE, LTD. (KY) 2022-09-22 US disclosed
US-11377449-B2 BTK inhibitors with improved dual selectivity BEIGENE, LTD. (KY) 2022-07-05 US disclosed
US-11377449-B2 BTK inhibitors with improved dual selectivity BEIGENE, LTD. (KY) 2022-07-05 US disclosed
US-20200181150-A1 BTK INHIBITORS WITH IMPROVED DUAL SELECTIVITY BEONE MEDICINES I GMBH (CH) 2020-06-11 US disclosed
US-20200181150-A1 BTK INHIBITORS WITH IMPROVED DUAL SELECTIVITY BEONE MEDICINES I GMBH (CH) 2020-06-11 US disclosed
CN-110997677-A Btk inhibitors with improved dual selectivity 百济神州有限公司 2020-04-10 CN disclosed
WO-2019034009-A1 Btk INHIBITORS WITH IMPROVED DUAL SELECTIVITY BEIGENE, LTD. (KY) 2019-02-21 WO disclosed
WO-2019034009-A1 Btk INHIBITORS WITH IMPROVED DUAL SELECTIVITY BEIGENE, LTD. (KY) 2019-02-21 WO disclosed
EP-2120569-B1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
EP-2120569-B1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
EP-2120569-A2 SPIROCHROMANON DERIVATIVES Merck & Co., Inc. (US) 2009-11-25 EP disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 US disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 US disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 US disclosed
WO-2008088692-A2 SPIROCHROMANON DERIVATIVES MERCK & CO., INC. (US) 2008-07-24 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 (4 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-20220298163-A1 BTK INHIBITORS WITH IMPROVED DUAL SELECTIVITY BTK, SYK, LYN TSHR 2095/4885LMNA 4418/4885NCOA1 3254/4885
US-20200181150-A1 BTK INHIBITORS WITH IMPROVED DUAL SELECTIVITY BTK, SYK, LYN TSHR 2095/4885LMNA 4418/4885NCOA1 3254/4885
US-11377449-B2 BTK inhibitors with improved dual selectivity BTK, SYK, LYN TSHR 2095/4885LMNA 4418/4885NCOA1 3254/4885
US-20090270436-A1 SPIROCHROMANON DERIVATIVES AKR1C3, CBR3, AKR1C4 TSHR 680/4885LMNA 2503/4885NCOA1 351/4885

“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.