SCHEMBL7323658

SCHEMBL7323658

Fc1ccc(-c2ccsc2Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.50
PTGS1 P23219 14/20 0.49
PTGS2 P35354 11/20 0.45
KDM4E B2RXH2 1/20 0.35
MT-CO1 P00395 1/20 0.35
MT-CO2 P00403 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL29290332 0.81 MAPK14 (0.33) MAPK14PTGS1PTGS2
SCHEMBL4450455 0.78 ESR1 (0.46) PTGS2KDM4ECYP3A4HPGDHSD17B10
SCHEMBL2781156 0.78 PTGS2 (0.46) PTGS2KDM4EHPGDTSHRHSD17B10
SCHEMBL2780142 0.78 KIF11 (0.42) MAPK14
SCHEMBL2779268 0.77 BCAT2 (0.47) PTGS2HPGDHSD17B10
SCHEMBL22261519 0.76 KDM4E (0.41) KDM4EHPGD
SCHEMBL30172706 0.76 KDM4E (0.41) KDM4EHPGD
SCHEMBL10843937 0.76 MAPK14 (0.79) MAPK14PTGS1PTGS2
SCHEMBL28395878 0.76 MAPK14 (0.52) MAPK14PTGS1PTGS2
SCHEMBL18099186 0.75 CES1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109721615-B Inhibitors of influenza virus replication and uses thereof 广东东阳光药业有限公司 2020-12-29 CN disclosed
US-20200283454-A1 INFLUENZA VIRUS REPLICATION INHIBITOR AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2020-09-10 US disclosed
EP-3686201-A1 INFLUENZA VIRUS REPLICATION INHIBITOR AND USE THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2020-07-29 EP disclosed
WO-2001009117-A1 TRICYCLIC COMPOUNDS AS GLYCINE TRANSPORT INHIBITORS ALLELLIX NEUROSCIENCE INC. (US) 2001-02-08 WO disclosed
US-6162824-A NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS ALLELIX NEUROSCIENCE INC. 2000-12-19 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 (1 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-20200283454-A1 INFLUENZA VIRUS REPLICATION INHIBITOR AND USE THEREOF RTF2, POLRMT, RTF1 MAPK14 654/4885PTGS1 799/4885PTGS2 2303/4885

“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.