SCHEMBL11283

SCHEMBL11283

COc1ccc2c(c1)C(=O)CCS2

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.77
HTT P42858 1/20 0.77
RYR2 Q92736 8/20 0.61
ALDH1A1 P00352 3/20 0.61
VHL P40337 1/20 0.58
ELOC Q15369 1/20 0.58
ELOB Q15370 1/20 0.58
KCNH2 Q12809 1/20 0.45
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
METAP1 P53582 1/20 0.41
LMNA P02545 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL29596397 1.00 KDM4E (0.77) KDM4EHTTRYR2ALDH1A1VHL
SCHEMBL7222447 0.90 KDM4E (0.63) KDM4EHTTRYR2ALDH1A1VHL
SCHEMBL67590 0.87 KDM4E (1.00) KDM4EHTTRYR2ALDH1A1VHL
SCHEMBL8118067 0.83 RYR2 (0.56) KDM4EHTTRYR2ALDH1A1KCNH2
SCHEMBL6366190 0.78 KDM4E (0.82) KDM4EHTTRYR2ALDH1A1KCNH2
SCHEMBL56657 0.77 VHL (0.64) KDM4EHTTALDH1A1VHLELOC
SCHEMBL21038005 0.77 VHL (0.51) KDM4EHTTRYR2ALDH1A1VHL
SCHEMBL10050688 0.77 KDM4E (0.48) KDM4EHTTRYR2ALDH1A1VHL
SCHEMBL629534 0.76 RYR2 (1.00) KDM4EHTTRYR2ALDH1A1KCNH2
SCHEMBL18537202 0.76 RYR2 (0.50) KDM4EHTTRYR2ALDH1A1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 EP disclosed
EP-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 EP disclosed
US-20160214973-A1 STORE OVERLOAD-INDUCED CALCIUM RELEASE INHIBITORS AND METHODS FOR PRODUCING AND USING THE SAME UTI LIMITED PARTNERSHIP (CA) 2016-07-28 US disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 US disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 US disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 US disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 US disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 US disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 US disclosed
EP-2499146-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES Merck Serono S.A. (CH) 2012-09-19 EP disclosed
EP-0539372-A1 THERAPEUTIC AGENTS The Boots Company PLC (GB) 1993-05-05 EP disclosed
US-5059609-A Lipoxygenase inhibitors; leukotriene receptor blockers; psoriasis; antiulcer agents and myocardial infarctions PFIZER INC. (US) 1991-10-22 US disclosed
WO-1991011448-A1 THERAPEUTIC AGENTS THE BOOTS COMPANY PLC (GB) 1991-08-08 WO disclosed
EP-0313295-A2 Substituted tetralins, chromans and related compounds in the treatment of asthma, arthritis and related diseases PFIZER INC. (US) 1989-04-26 EP disclosed
US-4282229-A FOR DIABETIC COMPLICATIONS PFIZER INC. (US) 1981-08-04 US disclosed
US-4258054-A ANTIDIABETIC PFIZER INC. (US) 1981-03-24 US disclosed
US-4210756-A Tetrahydroquinoline hydantoins for chronic diabetic complications PFIZER INC. (US) 1980-07-01 US disclosed
US-4209630-A ANTIDIABETIC AGENTS PFIZER INC. (US) 1980-06-24 US disclosed
US-4147795-A ENZYME INHIBITORS PFIZER INC. (US) 1979-04-03 US disclosed
US-4117230-A ANTIDIABETIC AGENTS PFIZER INC. (US) 1978-09-26 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 (2 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-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES PI4KB, MTOR, PI4KA KDM4E 1093/4885HTT 3430/4885RYR2 4407/4885
US-20160214973-A1 STORE OVERLOAD-INDUCED CALCIUM RELEASE INHIBITORS AND METHODS FOR PRODUCING AND USING THE SAME ORAI1, RYR2, CASR KDM4E 3018/4885HTT 4132/4885RYR2 2/4885

“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.