SCHEMBL17147653

SCHEMBL17147653

O=C(O)[C@@H](NCc1ccccc1)C1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.53
ITGB1 P05556 1/20 0.53
ITGAV P06756 1/20 0.53
ITGA5 P08648 1/20 0.53
HPGD P15428 2/20 0.51
EPHX1 P07099 2/20 0.51
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
EPHX2 P34913 4/20 0.47
ALDH1A1 P00352 3/20 0.47
USP2 O75604 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KMT2A Q03164 2/20 0.47
ALOX12 P18054 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TAAR1 Q96RJ0 1/20 0.44
GAA P10253 1/20 0.44
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP3 P08254 1/20 0.43

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
SCHEMBL29228688 0.98 ITGB3 (0.55) ITGB3ITGB1ITGAVITGA5HPGD
SCHEMBL1410181 0.98 ITGB3 (0.55) ITGB3ITGB1ITGAVITGA5HPGD
SCHEMBL17138252 0.93 HPGD (0.46) ITGB3ITGB1ITGAVITGA5HPGD
SCHEMBL11896375 0.86 HTT (0.43) ITGB3ITGB1ITGAVITGA5HPGD
SCHEMBL3457480 0.85 ITGB3 (0.58) ITGB3ITGB1ITGAVITGA5HPGD
Hydrochloric Acid SCHEMBL8843403 0.84 EPHX1 (0.53) ITGB3ITGB1ITGAVITGA5EPHX1
SCHEMBL27308454 0.82 ITGB3 (0.49) ITGB3ITGB1ITGAVITGA5HPGD
SCHEMBL24324633 0.80 HPGD (0.41) ITGB3ITGB1ITGAVITGA5HPGD
SCHEMBL21777664 0.80 ITGB3 (0.47) ITGB3ITGB1ITGAVITGA5EPHX2
SCHEMBL21777494 0.80 ITGB3 (0.47) ITGB3ITGB1ITGAVITGA5EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160158307-A1 Potent and Efficient Cytotoxic Peptides and Antibody-Drug Conjugates thereof and Their Synthesis ACES Pharma Inc. (US) 2016-06-09 US disclosed
US-20160158307-A1 Potent and Efficient Cytotoxic Peptides and Antibody-Drug Conjugates thereof and Their Synthesis ACES Pharma Inc. (US) 2016-06-09 US disclosed
US-9260478-B2 Potent and efficient cytotoxic peptides and antibody-drug conjugates thereof and their synthesis HU SHANGHUI (US) 2016-02-16 US disclosed
US-9260478-B2 Potent and efficient cytotoxic peptides and antibody-drug conjugates thereof and their synthesis HU SHANGHUI (US) 2016-02-16 US disclosed
WO-2015154029-A1 POTENT AND EFFICIENT CYTOTOXIC PEPTIDES AND ANTIBODY-DRUG CONJUGATES THEREOF ACES Pharma Inc. (US) 2015-10-08 WO disclosed
US-20150284425-A1 Potent and Efficient Cytotoxic Peptides and Antibody-Drug Conjugates thereof and Their Synthesis ACES Pharma Inc. (US) 2015-10-08 US disclosed
US-20150284425-A1 Potent and Efficient Cytotoxic Peptides and Antibody-Drug Conjugates thereof and Their Synthesis ACES Pharma Inc. (US) 2015-10-08 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 (2 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-20160158307-A1 Potent and Efficient Cytotoxic Peptides and Antibody-Drug Conjugates thereof and Their Synthesis NGLY1, VIP, DNPEP ITGB3 820/4885ITGB1 1112/4885ITGAV 352/4885
US-20150284425-A1 Potent and Efficient Cytotoxic Peptides and Antibody-Drug Conjugates thereof and Their Synthesis NGLY1, VIP, DNPEP ITGB3 820/4885ITGB1 1112/4885ITGAV 352/4885

“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.