SCHEMBL3189288

SCHEMBL3189288

CCOC(=O)COc1c(C(=O)OC)sc2c1sc1c(Cl)cccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
CYP2C9 P11712 4/20 0.44
NPSR1 Q6W5P4 3/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2C19 P33261 3/20 0.44
POLB P06746 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
NLRP3 Q96P20 1/20 0.43
KDM4E B2RXH2 8/20 0.41
MAPT P10636 5/20 0.41
HPGD P15428 4/20 0.41
LMNA P02545 3/20 0.41
MCL1 Q07820 2/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
GAA P10253 3/20 0.39
ALDH1A1 P00352 3/20 0.39
PFKFB3 Q16875 1/20 0.39
PFKFB4 Q16877 1/20 0.39
F9 P00740 1/20 0.39

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
SCHEMBL3190687 0.87 KDM4E (0.41) KMT2ACYP2C9NPSR1CYP1A2CYP2C19
SCHEMBL4136809 0.83 KMT2A (0.53) KMT2ACYP2C9NPSR1CYP1A2CYP2C19
SCHEMBL3200108 0.82 ALOX15 (0.39) POLBTDP1KDM4ELMNAPTPN1
SCHEMBL3193729 0.81 NLRP3 (0.39) POLBNLRP3KDM4EMAPTHPGD
SCHEMBL3204279 0.79 RXFP1 (0.36) KDM4EMAPTLMNAGAAALDH1A1
SCHEMBL3204282 0.79 CD38 (0.39) KMT2ANPSR1TDP1KDM4EMAPT
SCHEMBL3196241 0.77 LMNA (0.39) KDM4EMAPTHPGDLMNAPTPN2
SCHEMBL3181104 0.77 NLRP3 (0.38) TDP1NLRP3HPGDALDH1A1L3MBTL1
SCHEMBL3181101 0.77 ALDH1A1 (0.35) KDM4EMAPTHPGDPTPN2PTPN1
SCHEMBL3198134 0.77 KDM4E (0.43) KMT2ANPSR1TDP1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7674822-B2 protein tyrosine phosphatase 1B (PTP1B) modulators; type 2 diabetes, obesity; increasing insulin sensitivity; 1-Carboxymethoxy-3,8-dithia-cyclopenta[a]indene-2-carboxylic acid WYETH (US) 2010-03-09 US disclosed
US-20060135488-A1 protein tyrosine phosphatase 1B (PTP1B) modulators; type 2 diabetes, obesity; increasing insulin sensitivity; 1-Carboxymethoxy-3,8-dithia-cyclopenta[a]indene-2-carboxylic acid WYETH 2006-06-22 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-20060135488-A1 protein tyrosine phosphatase 1B (PTP1B) modulators; type 2 diabetes, obesity; increasing insulin sensitivity; 1-Carboxymethoxy-3,8-dithia-cyclopenta[a]indene-2-carboxylic acid PTPA, PTPRCAP, PTPRC KMT2A 3165/4885CYP2C9 3478/4885NPSR1 3339/4885

“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.