SCHEMBL15084702

SCHEMBL15084702

O=C(CCOCCOCCOCCOCCOCCC(=O)NCCCOCCOCCOCCCNC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)NCCCOCCOCCOCCCNC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 5/20 0.59
▸ SIRT1 Q96EB6 4/20 0.54
▸ SIRT5 Q9NXA8 2/20 0.54
▸ PTGER4 P35408 3/20 0.54
▸ FOLH1 Q04609 2/20 0.54
▸ SIRT3 Q9NTG7 2/20 0.54
▸ CAPN1 P07384 1/20 0.53
▸ CAPN2 P17655 1/20 0.53
▸ CPB1 P15086 1/20 0.53
▸ CPB2 Q96IY4 1/20 0.53

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
SCHEMBL15084866 0.98 SIRT2 (0.61) SIRT2SIRT1SIRT5PTGER4FOLH1
SCHEMBL22055423 0.97 SIRT2 (0.63) SIRT2SIRT1PTGER4FOLH1SIRT3
SCHEMBL14642700 0.96 SIRT2 (0.57) SIRT2SIRT1SIRT5PTGER4FOLH1
SCHEMBL14642785 0.96 SIRT2 (0.57) SIRT2SIRT1SIRT5PTGER4FOLH1
SCHEMBL14642788 0.96 SIRT2 (0.62) SIRT2SIRT1SIRT3CAPN1CAPN2
SCHEMBL18653805 0.95 SIRT2 (0.57) SIRT2SIRT1SIRT5PTGER4SIRT3
SCHEMBL14240585 0.94 SIRT2 (0.58) SIRT2SIRT1SIRT5PTGER4FOLH1
SCHEMBL14642695 0.94 SIRT2 (0.64) SIRT2SIRT1SIRT3CAPN1CAPN2
SCHEMBL14642694 0.94 SIRT2 (0.59) SIRT2SIRT1FOLH1SIRT3CAPN1
SCHEMBL15084738 0.93 SIRT2 (0.53) SIRT2SIRT1SIRT5PTGER4FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170000893-A1 COMPOUNDS FOR TARGETING DRUG DELIVERY AND ENHANCING siRNA ACTIVITY NITTO DENKO CORP (JP) 2017-01-05 — — US disclosed
US-20170001950-A1 COMPOUNDS FOR TARGETING DRUG DELIVERY AND ENHANCING siRNA ACTIVITY NITTO DENKO CORP (JP) 2017-01-05 — — US disclosed
US-20130210744-A1 TARGETING AGENT FOR CANCER CELL OR CANCER-ASSOCIATED FIBROBLAST NITTO DENKO CORPORATION (JP) 2013-08-15 — — US disclosed
US-20130171240-A1 DRUG CARRIER AND DRUG CARRIER KIT FOR INHIBITING FIBROSIS NITTO DENKO CORPORATION (JP) 2013-07-04 — — 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 (4 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-20130171240-A1 DRUG CARRIER AND DRUG CARRIER KIT FOR INHIBITING FIBROSIS KIT, STRA6, HAVCR2 SIRT2 1708/4885SIRT1 1340/4885SIRT5 3096/4885
US-20170001950-A1 COMPOUNDS FOR TARGETING DRUG DELIVERY AND ENHANCING siRNA ACTIVITY LDLR, RARG, FABP4 SIRT2 2436/4885SIRT1 1811/4885SIRT5 3501/4885
US-20170000893-A1 COMPOUNDS FOR TARGETING DRUG DELIVERY AND ENHANCING siRNA ACTIVITY LDLR, RARG, FABP4 SIRT2 2436/4885SIRT1 1811/4885SIRT5 3501/4885
US-20130210744-A1 TARGETING AGENT FOR CANCER CELL OR CANCER-ASSOCIATED FIBROBLAST FGFR2, FRS2, FOLR1 SIRT2 2950/4885SIRT1 2979/4885SIRT5 3701/4885

“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