SCHEMBL21961850

SCHEMBL21961850

N=C(N)NCCC[C@H](NC(=O)CN)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.40
ITGA2B P08514 2/20 0.40
PTGS1 P23219 1/20 0.37
GSTK1 Q9Y2Q3 1/20 0.37
QRFPR Q96P65 1/20 0.36
NPY4R P50391 6/20 0.36
NPY5R Q15761 6/20 0.36
NPY1R P25929 5/20 0.36
NPY2R P49146 3/20 0.36
GLO1 Q04760 1/20 0.35
KEAP1 Q14145 2/20 0.35
MDM4 O15151 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGAV P06756 1/20 0.34
ITGA5 P08648 1/20 0.34
TFPI P10646 1/20 0.34
IL23R Q5VWK5 1/20 0.34
OPRL1 P41146 1/20 0.33
PTGER4 P35408 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
SCHEMBL19426417 1.00 ITGB3 (0.40) ITGB3ITGA2BPTGS1GSTK1QRFPR
SCHEMBL19426331 1.00 ITGB3 (0.40) ITGB3ITGA2BPTGS1GSTK1QRFPR
SCHEMBL29630767 0.95 NPY4R (0.39) ITGB3ITGA2BPTGS1GSTK1QRFPR
SCHEMBL12015094 0.93 QRFPR (0.40) ITGB3ITGA2BQRFPRNPY4RNPY5R
SCHEMBL12646501 0.93 ITGB3 (0.38) ITGB3ITGA2BPTGS1GSTK1QRFPR
SCHEMBL29405094 0.93 ITGB3 (0.38) ITGB3ITGA2BPTGS1GSTK1QRFPR
SCHEMBL29591850 0.93 QRFPR (0.39) ITGB3ITGA2BPTGS1GSTK1QRFPR
SCHEMBL29354257 0.93 PTGS1 (0.41) PTGS1GSTK1QRFPRNPY4RNPY5R
SCHEMBL29590376 0.92 QRFPR (0.42) PTGS1GSTK1QRFPRNPY4RNPY5R
SCHEMBL29630453 0.92 PTGS1 (0.39) PTGS1GSTK1QRFPRNPY4RNPY5R

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
WO-2024248173-A1 NOVEL STRAIN OF LYMOSILACTOBACILLUS SP. AND FOOD COMPOSITION FOR IMPROVING ANTIOXIDANT OR ANTI-STRESS FUNCTION COMPRISING FERMENTED RICE EXTRACT USING SAME 주식회사 퓨처에프바이오텍 2024-12-05 WO disclosed
US-10624972-B2 Conjugates for treating diseases ENDOCYTE, INC. (US) 2020-04-21 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-10624972-B2 Conjugates for treating diseases CD79B, MALT1, TPMT ITGB3 920/4885ITGA2B 449/4885PTGS1 2780/4885

“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.