SCHEMBL2233250

SCHEMBL2233250

CCCC(C)CS(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
TP53 P04637 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL17319467 1.00 TSHR (0.42) TSHRTP53CA12CA1CA2
SCHEMBL2531832 0.85 TP53 (0.39) TSHRTP53CA12CA1CA2
SCHEMBL2236544 0.83 TP53 (0.47) TP53CA1CA2
SCHEMBL11350925 0.81 TSHR (0.43) TSHRTP53CA12CA1CA2
SCHEMBL6729264 0.79 TSHR (0.42) TSHRTP53CA12CA1CA2
SCHEMBL1705201 0.78
SCHEMBL22267540 0.78 TSHR (0.46) TSHR
SCHEMBL23805180 0.77 TSHR (0.40) TSHRTP53CA12CA1CA2
SCHEMBL5075666 0.77 TSHR (0.40) TSHRTP53CA12CA1CA2
SCHEMBL5076462 0.77 TSHR (0.40) TSHRTP53CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466324-B2 Sulfone compound SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2013-06-18 US disclosed
US-20110257438-A1 SULFONE COMPOUND SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2011-10-20 US disclosed
EP-2360143-A1 SULFONE COMPOUND Sumitomo Seika Chemicals CO. LTD. (JP) 2011-08-24 EP disclosed
US-20100130468-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS GLAXOSMITHKLINE LLC 2010-05-27 US disclosed
US-RE39679-E1 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-06-05 US disclosed
US-6713471-B1 SUCH AS TERT-BUTYL-1-METHYL-6,7,9,12-TETRAHYDRO-5H-PYRIDO-(4,3-B)(1,4) THIAZEPINO(2,3,4-HI)INDOLE-11(10H)-CARBOXYLATE; SEROTONIN AGONISTS AND ANTAGONISTS; CENTRAL NERVOUS SYSTEM DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-30 US disclosed
EP-1192165-A2 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES Bristol-Myers Squibb Pharma Company (US) 2002-04-03 EP disclosed
WO-2000077010-A2 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES DU PONT PHARMACEUTICALS COMPANY (US) 2000-12-21 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 (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-20100130468-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS IDO2, IDO1, NFKBIA TSHR 2451/4885TP53 2748/4885CA12 2825/4885
US-20110257438-A1 SULFONE COMPOUND SULT1E1, SULT1A1, STS TSHR 3222/4885TP53 4133/4885CA12 197/4885

“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.