SCHEMBL19681568

SCHEMBL19681568

CC(C)CC(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.42
ITGA2B P08514 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
NPY5R Q15761 6/20 0.40
NPY1R P25929 5/20 0.40
NPY4R P50391 5/20 0.40
NPY2R P49146 3/20 0.40
C3AR1 Q16581 1/20 0.40
PTPN1 P18031 1/20 0.39
REN P00797 1/20 0.39
CTSD P07339 1/20 0.39
BACE1 P56817 1/20 0.39
SIRT1 Q96EB6 2/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
HPGD P15428 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 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
SCHEMBL23189264 1.00 ITGB3 (0.42) ITGB3ITGA2BSMN1; SMN2NPC1RAB9A
SCHEMBL24539700 0.88 C3AR1 (0.42) SMN1; SMN2C3AR1SIRT1SIRT2ADAM10
SCHEMBL24701258 0.88 C3AR1 (0.42) SMN1; SMN2C3AR1SIRT1SIRT2ADAM10
SCHEMBL20043710 0.88 SIRT2 (0.46) ITGB3ITGA2BSIRT1SIRT2
SCHEMBL24728476 0.87 C3AR1 (0.40) NPY5RNPY1RNPY4RNPY2RC3AR1
SCHEMBL17683439 0.87 SIRT2 (0.45) ITGB3ITGA2BSIRT1SIRT2
SCHEMBL23347054 0.87 SIRT2 (0.45) ITGB3ITGA2BSIRT1SIRT2
SCHEMBL12634420 0.87 TAAR1 (0.41) NPY5RNPY1RNPY4RNPY2RSIRT1
SCHEMBL18738463 0.86 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9APTPN1HPGD
SCHEMBL26170358 0.86 MAPT (0.47) C3AR1SIRT1ALDH1A1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023116911-A1 ANTI-FRα ANTIBODY, AND ANTIBODY-DRUG CONJUGATE AND USE THEREOF 百奥泰生物制药股份有限公司 2023-06-29 WO disclosed
WO-2023061457-A1 ANTIBODY-DRUG CONJUGATE AND APPLICATION THEREOF 百奥泰生物制药股份有限公司 2023-04-20 WO disclosed
WO-2022253284-A1 DRUG CONJUGATE AND USE THEREOF 百奥泰生物制药股份有限公司 2022-12-08 WO disclosed
US-20210100912-A1 ANTIBODY-DRUG CONJUGATE HAVING ACIDIC SELF-STABILIZATION JUNCTION SYSTIMMUNE, INC. 2021-04-08 US disclosed
WO-2018127699-A1 COMPOUNDS FOR TREATING CANCER Bicyclerd Limited (GB) 2018-07-12 WO disclosed
WO-2017210288-A1 ANTIBODY DRUG CONJUGATES HAVING DERIVATIVES OF AMATOXIN AS THE DRUG SORRENTO THERAPEUTICS, INC. (US) 2017-12-07 WO 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-20210100912-A1 ANTIBODY-DRUG CONJUGATE HAVING ACIDIC SELF-STABILIZATION JUNCTION CD44, EPCAM, FCGR1A ITGB3 1246/4885ITGA2B 845/4885SMN1; SMN2 2445/4885

“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.