SCHEMBL7084063

SCHEMBL7084063

CS(=O)(=O)OCCCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 15/20 0.43
NMBR P28336 1/20 0.34
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MMP9 P14780 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
ENPP2 Q13822 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
SCHEMBL3976810 0.93 SIRT2 (0.45) SIRT2NMBRCYP11B1CYP11B2ENPP2
SCHEMBL24329386 0.89 SIRT2 (0.36) SIRT2KDM4EUSP2ALDH1A1LMNA
SCHEMBL5439663 0.85 SIRT2 (0.42) SIRT2NMBRCYP11B1CYP11B2ENPP2
SCHEMBL3821641 0.81 SIRT2 (0.46) SIRT2NMBRCYP11B1CYP11B2ENPP2
SCHEMBL2796109 0.79 SIRT2 (0.52) SIRT2CYP11B1CYP11B2
SCHEMBL1039638 0.78 SIRT2 (0.43) SIRT2NMBRCYP11B1CYP11B2
SCHEMBL2490264 0.77 SIRT2 (0.48) SIRT2NMBRUSP2LMNAALOX15
SCHEMBL10914340 0.77 KDM4E (0.33) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL4379824 0.77 SIRT2 (0.43) SIRT2KDM4EALDH1A1LMNA
SCHEMBL25309477 0.77 SIRT2 (0.41) SIRT2

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
US-20230382949-A1 LINEAR APELIN RECEPTOR AGONISTS HEPTARES THERAPEUTICS LIMITED (GB) 2023-11-30 US disclosed
US-20230382949-A1 LINEAR APELIN RECEPTOR AGONISTS HEPTARES THERAPEUTICS LIMITED (GB) 2023-11-30 US disclosed
EP-1200430-A4 THIOUREA AND ISOTHIOUREA DERIVATIVES FOR INHIBITING RAS-TRANSFORMED CELL GROWTH YUHAN CORP LTD (KR) 2003-01-22 EP disclosed
EP-1200430-A1 THIOUREA AND ISOTHIOUREA DERIVATIVES FOR INHIBITING RAS-TRANSFORMED CELL GROWTH YUHAN CORPORATION, LTD. (KR) 2002-05-02 EP disclosed
WO-2001009128-A1 THIOUREA AND ISOTHIOUREA DERIVATIVES FOR INHIBITING RAS-TRANSFORMED CELL GROWTH YUHAN CORPORATION (KR) 2001-02-08 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-20230382949-A1 LINEAR APELIN RECEPTOR AGONISTS APLNR, MTNR1A, EDNRA SIRT2 4152/4885NMBR 387/4885KDM4E 3435/4885

“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.