SCHEMBL18972398

SCHEMBL18972398

CCCCn1cc(CC(N)C(=O)NCC(=O)NC(Cc2ccccc2)C(=O)NC(CC(C)C)C(=O)NC[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)=O)C(=O)NCCCCC2NC(=O)[C@@H](Cc3ccccc3)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)C(CCCNC(=N)N)NC2=O)nn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2RL1 P55085 2/20 0.46
▸ ITGB3 P05106 3/20 0.43
▸ ITGAV P06756 3/20 0.43
▸ TSLP Q969D9 2/20 0.43
▸ ALB P02768 1/20 0.43
▸ ITGB1 P05556 1/20 0.41
▸ ITGA5 P08648 1/20 0.41
▸ MC4R P32245 7/20 0.41
▸ MC5R P33032 7/20 0.41
▸ MC3R P41968 7/20 0.41
▸ MC1R Q01726 7/20 0.41
▸ BCL2L1 Q07817 1/20 0.41
▸ BAD Q92934 1/20 0.41
▸ KEAP1 Q14145 1/20 0.41
▸ NPR1 P16066 1/20 0.40
▸ NPR3 P17342 1/20 0.40
▸ CSNK2A2 P19784 1/20 0.40
▸ CSNK2B P67870 1/20 0.40
▸ CSNK2A1 P68400 1/20 0.40
▸ CSNK2A3 Q8NEV1 1/20 0.40

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
SCHEMBL18972610 0.98 F2RL1 (0.47) F2RL1ITGB3ITGAVTSLPALB
SCHEMBL18972405 0.95 F2RL1 (0.45) F2RL1ITGB3ITGAVTSLPALB
SCHEMBL18972613 0.94 F2RL1 (0.47) F2RL1ITGB3ITGAVTSLPALB
SCHEMBL18972629 0.84 F2RL1 (0.41) F2RL1ITGB3ITGAVTSLPBCL2L1
SCHEMBL18972950 0.79 F2RL1 (0.40) F2RL1ITGB3ITGAVTSLPITGB1
SCHEMBL18293540 0.74 ITGB3 (0.48) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL12463308 0.73 ITGB3 (0.57) ITGB3ITGAVTSLPITGB1ITGA5
SCHEMBL7738281 0.73 ITGB3 (0.52) ITGB3ITGAVALBITGB1ITGA5
SCHEMBL13038609 0.72 CHRNA10 (0.55) F2RL1TSLPALBMC4RMC3R
SCHEMBL24253294 0.71 ITGB3 (0.56) ITGB3ITGAVITGB1ITGA5MC4R

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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