SCHEMBL262973

SCHEMBL262973

CC(=O)Oc1ccccc1C(C)Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.52
KDM4E B2RXH2 3/20 0.52
HSD17B10 Q99714 3/20 0.52
HPGD P15428 2/20 0.52
TSHR P16473 2/20 0.52
ALDH1A1 P00352 1/20 0.52
ESR1 P03372 1/20 0.52
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
HMGB1 P09429 1/20 0.52
GGT1 P19440 1/20 0.52
PTGS1 P23219 1/20 0.52
BLM P54132 1/20 0.52
NAPRT Q6XQN6 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CYP1A2 P05177 2/20 0.46
LMNA P02545 1/20 0.46
CYP2C9 P11712 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL720572 0.84 KDM4E (0.55) PTGS2KDM4EHSD17B10HPGDTSHR
SCHEMBL28749550 0.83 PTGS2 (0.50) PTGS2KDM4EHSD17B10HPGDTSHR
Hydrogen Peroxide SCHEMBL8008634 0.82 KDM4E (0.58) PTGS2KDM4EHSD17B10HPGDTSHR
SCHEMBL8324534 0.82 PTGS2 (0.53) PTGS2KDM4EHSD17B10HPGDTSHR
SCHEMBL11606741 0.82 PTGS2 (0.57) PTGS2KDM4EHSD17B10HPGDTSHR
SCHEMBL6054582 0.81 P2RX3 (0.42) ALDH1A1MAPK1ACHEHTT
SCHEMBL27643582 0.81 KDM4E (0.48) PTGS2KDM4ELMNAMEN1KMT2A
SCHEMBL6250169 0.81 PTGS2 (0.52) PTGS2KDM4EHSD17B10HPGDTSHR
SCHEMBL28550170 0.80 PTGS2 (0.47) PTGS2KDM4EHSD17B10HPGDTSHR
SCHEMBL18499347 0.80 PTGS2 (0.55) PTGS2KDM4EHSD17B10HPGDTSHR

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
CN-107573360-A A kind of Mutiple Targets micromolecular compound S63845 preparation method 都创(上海)医药科技有限公司 2018-01-12 CN claimed
US-11091484-B2 Tricyclic heterocycles as BET protein inhibitors INCYTE CORPORATION (US) 2021-08-17 US disclosed
US-10442803-B2 Tricyclic heterocycles as bet protein inhibitors INCYTE CORPORATION (US) 2019-10-15 US disclosed
CN-107573360-A A kind of Mutiple Targets micromolecular compound S63845 preparation method 都创(上海)医药科技有限公司 2018-01-12 CN disclosed
US-20180002334-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION 2018-01-04 US disclosed
EP-2443485-B1 BIOMEDICAL DEVICES BAUSCH & LOMB (US) 2017-11-08 EP disclosed
US-9777003-B2 Tricyclic heterocycles as bet protein inhibitors INCYTE CORPORATION (US) 2017-10-03 US disclosed
EP-2443486-B1 BIOMEDICAL DEVICES BAUSCH & LOMB (US) 2017-03-01 EP disclosed
EP-2443482-B1 BIOMEDICAL DEVICES, POLYMERIC MATERIALS AND CONTACT LENSES COMPRISING THE SAME. BAUSCH & LOMB (US) 2017-03-01 EP disclosed
US-20160168148-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION 2016-06-16 US disclosed
US-9309246-B2 Tricyclic heterocycles as BET protein inhibitors INCYTE CORPORATION (US) 2016-04-12 US disclosed
WO-2015095492-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION (US) 2015-06-25 WO disclosed
US-20150175604-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION (US) 2015-06-25 US disclosed
US-8133960-B2 Biomedical devices BAUSCH & LOMB INCORPORATED (US) 2012-03-13 US disclosed
US-8083348-B2 Biomedical devices BAUSCH & LOMB INCORPORATED (US) 2011-12-27 US disclosed
US-20100317816-A1 Biomedical devices BAUSCH & LOMB INCORPORATED (US) 2010-12-16 US disclosed
US-20100317817-A1 Biomedical devices BAUSCH & LOMB INCORPORATED (US) 2010-12-16 US disclosed
US-20100315588-A1 Biomedical devices BAUSCH & LOMB INCORPORATED (US) 2010-12-16 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 (5 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-20180002334-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS BRD1, BRD3, BRD2 PTGS2 2814/4885KDM4E 1807/4885HSD17B10 2099/4885
US-10442803-B2 Tricyclic heterocycles as bet protein inhibitors BRD1, BRD3, BRD2 PTGS2 2814/4885KDM4E 1807/4885HSD17B10 2099/4885
US-20160168148-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS BRD1, BRD3, BRD2 PTGS2 2814/4885KDM4E 1807/4885HSD17B10 2099/4885
US-11091484-B2 Tricyclic heterocycles as BET protein inhibitors BRD1, BRD3, BRD2 PTGS2 2814/4885KDM4E 1807/4885HSD17B10 2099/4885
US-20150175604-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS BRD1, BRD3, BRD2 PTGS2 2814/4885KDM4E 1807/4885HSD17B10 2099/4885

“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.