SCHEMBL18972950

SCHEMBL18972950

CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(N)Cc1cn(CCCC(C)(C)C)nn1)C(=O)NC[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)NCCCCC1C(=O)NC(CCCNC=N)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N1C(=O)CN

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ F2RL1 P55085 2/20 0.40
▸ ITGB3 P05106 4/20 0.35
▸ ITGAV P06756 4/20 0.35
▸ BCL2L1 Q07817 1/20 0.35
▸ BAD Q92934 1/20 0.35
▸ PCSK9 Q8NBP7 1/20 0.34
▸ AKT1 P31749 1/20 0.34
▸ TSLP Q969D9 2/20 0.34
▸ CD40 P25942 1/20 0.34
▸ ITGB1 P05556 1/20 0.33
▸ ITGA5 P08648 1/20 0.33
▸ BECN1 Q14457 4/20 0.33
▸ OPRL1 P41146 1/20 0.33
▸ GCGR P47871 2/20 0.33
▸ KEAP1 Q14145 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
SCHEMBL18972629 0.95 F2RL1 (0.41) F2RL1ITGB3ITGAVBCL2L1BAD
SCHEMBL18972613 0.85 F2RL1 (0.47) F2RL1ITGB3ITGAVBCL2L1BAD
SCHEMBL18972405 0.84 F2RL1 (0.45) F2RL1ITGB3ITGAVBCL2L1BAD
SCHEMBL18972610 0.81 F2RL1 (0.47) F2RL1ITGB3ITGAVBCL2L1BAD
SCHEMBL18972398 0.79 F2RL1 (0.46) F2RL1ITGB3ITGAVBCL2L1BAD
SCHEMBL29311680 0.60 CCKBR (0.49) KEAP1
SCHEMBL29311679 0.60 CCKBR (0.49) KEAP1
SCHEMBL27274067 0.60 CCKBR (0.48) KEAP1
SCHEMBL22962364 0.58 CD40 (0.54) CD40
SCHEMBL7738281 0.58 ITGB3 (0.52) ITGB3ITGAVITGB1ITGA5KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170168041-A1 Polymers And Oligomers With Aggregation-Induced Emission Characteristics For Imaging And Image-Guided Therapy NATIONAL UNIVERSITY OF SINGAPORE (SG) 2017-06-15 — — 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-20170168041-A1 Polymers And Oligomers With Aggregation-Induced Emission Characteristics For Imaging And Image-Guided Therapy MAPT, FUS, CLTB F2RL1 797/4885ITGB3 1163/4885ITGAV 1637/4885

“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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