SCHEMBL18025616

SCHEMBL18025616

C#CCCCC(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NC(CO)C(=O)N[C@@H](CCCCNC(=O)CCCCC1SCC2NC(=O)NC21)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 8/20 0.52
▸ TDP1 Q9NUW8 4/20 0.50
▸ CASP3 P42574 3/20 0.47
▸ CASP1 P29466 1/20 0.47
▸ CASP2 P42575 1/20 0.47
▸ CASP7 P55210 1/20 0.47
▸ CASP8 Q14790 1/20 0.47
▸ CAPN1 P07384 2/20 0.44
▸ PLG P00747 1/20 0.42
▸ PRSS1 P07477 1/20 0.42
▸ PRSS2 P07478 1/20 0.42
▸ PRSS3 P35030 1/20 0.42
▸ TPSAB1 Q15661 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ IDE P14735 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KMT2A Q03164 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
SCHEMBL15788093 0.80 LCK (0.48) FOLH1TDP1CASP3CASP1CASP2
SCHEMBL31378126 0.79 TDP1 (0.66) FOLH1TDP1CAPN1MEN1ABL1
SCHEMBL29869498 0.78 FOLH1 (0.57) FOLH1TDP1CASP3CASP1CASP2
SCHEMBL13881397 0.78 OPRL1 (0.38) —
SCHEMBL12303008 0.78 CNR1 (0.54) FOLH1TDP1CASP3CASP1CASP2
SCHEMBL2259238 0.77 FOLH1 (0.52) FOLH1TDP1CASP3CASP1CASP2
SCHEMBL27233233 0.77 TDP1 (0.69) FOLH1TDP1CAPN1MEN1ABL1
SCHEMBL27233227 0.77 TDP1 (0.69) FOLH1TDP1CAPN1MEN1ABL1
SCHEMBL17931798 0.77 FOLH1 (0.46) FOLH1TDP1CASP3CASP1CASP2
SCHEMBL21110496 0.76 TDP1 (0.51) FOLH1TDP1CASP3CASP1CASP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9988492-B2 Methods for post-fabrication functionalization of poly(ester ureas) THE UNIVERSITY OF AKRON (US) 2018-06-05 — — US disclosed
US-20160237212-A1 METHODS FOR POST-FABRICATION FUNCTIONALIZATION OF POLY(ESTER UREAS) THE UNIVERSITY OF AKRON (US) 2016-08-18 — — 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 (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-20160237212-A1 METHODS FOR POST-FABRICATION FUNCTIONALIZATION OF POLY(ESTER UREAS) PTMS, MUSK, DSTYK FOLH1 3720/4885TDP1 1768/4885CASP3 833/4885

“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.

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