SCHEMBL16325673

SCHEMBL16325673

C#CCCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C=O)CC(=O)O)NC(=O)[C@H](CC(=O)O)NC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AVPR1A P37288 4/20 0.42
▸ TBXA2R P21731 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ PDE3A Q14432 1/20 0.42
▸ SSTR1 P30872 2/20 0.41
▸ SSTR2 P30874 2/20 0.41
▸ SSTR4 P31391 2/20 0.41
▸ SSTR3 P32745 2/20 0.41
▸ SSTR5 P35346 2/20 0.41
▸ AVPR1B P47901 4/20 0.41
▸ AVPR2 P30518 3/20 0.41
▸ OXTR P30559 2/20 0.41
▸ KLK7 P49862 2/20 0.40
▸ EHD1 Q9H4M9 1/20 0.40
▸ F12 P00748 1/20 0.40
▸ CHRNA7 P36544 1/20 0.38
▸ CHRNA10 Q9GZZ6 1/20 0.38
▸ CHRNA9 Q9UGM1 1/20 0.38
▸ KRAS P01116 2/20 0.38
▸ BCL2L1 Q07817 1/20 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
SCHEMBL13113585 0.78 PLAU (0.51) AVPR1ASSTR1SSTR2SSTR4SSTR3
SCHEMBL13038608 0.75 MC4R (0.51) TSLP
SCHEMBL13881404 0.75 MC4R (0.51) TSLP
SCHEMBL13113566 0.74 SSTR2 (0.50) AVPR1ATBXA2RPDE4DPDE3ASSTR1
SCHEMBL16349705 0.74 SSTR2 (0.47) AVPR1ATBXA2RPDE4DPDE3ASSTR1
SCHEMBL16349623 0.74 PLAU (0.46) AVPR1ATBXA2RPDE4DPDE3ASSTR1
SCHEMBL13287941 0.74 SSTR2 (0.50) AVPR1ATBXA2RPDE4DPDE3ASSTR1
SCHEMBL14047518 0.73 PLAU (0.38) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL12082795 0.73 IL23R (0.52) AVPR1ATBXA2RPDE4DPDE3ASSTR1
SCHEMBL13113570 0.72 SSTR2 (0.44) AVPR1ATBXA2RPDE4DPDE3ASSTR1

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-20090110662-A1 MODIFICATION OF BIOLOGICAL TARGETING GROUPS FOR THE TREATMENT OF CANCER INTEZYNE TECHNOLOGIES, INC. (US) 2009-04-30 — — 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-20090110662-A1 MODIFICATION OF BIOLOGICAL TARGETING GROUPS FOR THE TREATMENT OF CANCER CD44, CD47, EPCAM AVPR1A 3643/4885TBXA2R 2178/4885PDE4D 3486/4885

“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