SCHEMBL7010763

SCHEMBL7010763

CSCCCC(=O)N[C@@H](CCCCNC(=O)CCC(=O)Nc1ccc2c(S(=O)(=O)O)cccc2c1)C(=O)N[C@H]1CSSC[C@@H](C(=O)NC(Cc2ccccc2)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCNC(=O)CCCC(=O)NCCC(CCNC(C)(C)/C(C)=N\O)CCNC(C)(C)/C(C)=N\O)C(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC1=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSLP Q969D9 2/20 0.43
▸ ALB P02768 1/20 0.43
▸ BCL2L1 Q07817 2/20 0.42
▸ BAD Q92934 2/20 0.42
▸ NPR1 P16066 1/20 0.41
▸ NPR3 P17342 1/20 0.41
▸ KLK7 P49862 1/20 0.40
▸ BECN1 Q14457 4/20 0.40
▸ F11 P03951 1/20 0.39
▸ TNFSF11 O14788 1/20 0.39
▸ MC4R P32245 1/20 0.39
▸ MC3R P41968 1/20 0.39
▸ MC1R Q01726 1/20 0.39
▸ CSNK2A2 P19784 1/20 0.39
▸ CSNK2B P67870 1/20 0.39
▸ CSNK2A1 P68400 1/20 0.39
▸ CSNK2A3 Q8NEV1 1/20 0.39
▸ CTSG P08311 1/20 0.38
▸ IL23R Q5VWK5 4/20 0.38

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
SCHEMBL13748393 0.86 ALB (0.45) TSLPALBMC4RMC3RMC1R
SCHEMBL7008808 0.85 ALB (0.45) TSLPALBMC4RMC3RMC1R
SCHEMBL16298642 0.83 ALB (0.47) TSLPALBBCL2L1BADNPR1
SCHEMBL13755375 0.82 TSLP (0.41) TSLPALBCTSGIL23R
SCHEMBL13486079 0.79 NPR1 (0.51) TSLPALBBCL2L1BADNPR1
SCHEMBL16325464 0.78 ALB (0.46) TSLPALBNPR1NPR3TNFSF11
SCHEMBL10327411 0.78 NPR1 (0.50) TSLPALBBCL2L1BADNPR1
SCHEMBL9909406 0.76 ALB (0.47) TSLPALBBCL2L1BADNPR1
SCHEMBL14029125 0.76 CTSG (0.50) TSLPALBBCL2L1BADNPR1
SCHEMBL13590621 0.75 ALB (0.48) TSLPALBBCL2L1BADNPR1

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-8182790-B2 Contrast agents GE HEALTHCARE AS (NO) 2012-05-22 — — US disclosed
US-20090208412-A1 Contrast Agents GE HEALTHCARE AS (NO) 2009-08-20 — — 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-20090208412-A1 Contrast Agents COL2A1, COL1A1, COL14A1 TSLP 3139/4885ALB 210/4885BCL2L1 399/4885

“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