SCHEMBL4975071

SCHEMBL4975071

CCCCCCCCCCCCS(=O)(=O)c1ccc2cc[nH]c2n1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TXNRD1 Q16881 4/20 0.38
▸ GSR P00390 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ GPR84 Q9NQS5 1/20 0.35
▸ EPHX1 P07099 1/20 0.34
▸ SOAT1 P35610 7/20 0.33
▸ THRA P10827 1/20 0.33
▸ THRB P10828 1/20 0.33

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
SCHEMBL27003036 0.72 GPBAR1 (0.41) TXNRD1GSR
SCHEMBL12807007 0.69 KCNH2 (0.50) GPR84EPHX1
SCHEMBL12874655 0.67 KCNH2 (0.43) KDM4EHPGDGPR84
SCHEMBL10834635 0.67 THRB (0.45) TXNRD1GSRKDM4EHPGDTHRA
SCHEMBL2868163 0.67 EPHX1 (0.48) EPHX1THRATHRB
SCHEMBL1859656 0.66 FAAH (0.38) TXNRD1GSRSOAT1THRATHRB
SCHEMBL18958933 0.65 KEAP1 (0.58) TXNRD1GSRKDM4EHPGD
SCHEMBL29291621 0.65 KEAP1 (0.58) TXNRD1GSRKDM4EHPGD
SCHEMBL13021084 0.65 CYP1A2 (0.40) HPGD
SCHEMBL1062686 0.64 SOAT1 (0.36) SOAT1THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247556-B2 Method for preparing 6-substituted-7-aza-indoles AMGEN INC. (US) 2012-08-21 — — US claimed
US-8247556-B2 Method for preparing 6-substituted-7-aza-indoles AMGEN INC. (US) 2012-08-21 — — US disclosed
EP-1971604-B1 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC (US) 2012-08-01 — — EP disclosed
EP-1971604-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES Amgen Inc. (US) 2008-09-24 — — EP disclosed
US-20070185171-A1 Compounds and methods of use AMGEN INC. 2007-08-09 — — US disclosed
WO-2007048070-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC. (US) 2007-04-26 — — 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 (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-20070185171-A1 Compounds and methods of use VHL, PGF, PTGIS TXNRD1 1912/4885GSR 877/4885KDM4E 2250/4885

“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.

Send feedback