SCHEMBL17138252

SCHEMBL17138252

O=C(O)[C@@H](NCc1ccccc1)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
ALDH1A1 P00352 2/20 0.46
USP2 O75604 1/20 0.46
ITGB3 P05106 1/20 0.46
ITGB1 P05556 1/20 0.46
ITGAV P06756 1/20 0.46
ITGA5 P08648 1/20 0.46
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP3 P08254 1/20 0.45
MMP13 P45452 1/20 0.45
EPHX1 P07099 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
ACP3 P15309 3/20 0.42
MC4R P32245 1/20 0.42
ALOX12 P18054 1/20 0.42
MEN1 O00255 1/20 0.41

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
SCHEMBL17147653 0.93 ITGB3 (0.53) HPGDALDH1A1USP2ITGB3ITGB1
SCHEMBL29228688 0.92 ITGB3 (0.55) HPGDALDH1A1USP2ITGB3ITGB1
SCHEMBL1410181 0.92 ITGB3 (0.55) HPGDALDH1A1USP2ITGB3ITGB1
SCHEMBL11896375 0.89 HTT (0.43) HPGDALDH1A1USP2ITGB3ITGB1
SCHEMBL31246050 0.84 KMT2A (0.50) HPGDALDH1A1USP2ITGB3ITGB1
SCHEMBL1696835 0.83 HAT1 (0.49) ALDH1A1EPHX1NPC1RAB9ALMNA
SCHEMBL1696869 0.83 HAT1 (0.49) ALDH1A1EPHX1NPC1RAB9ALMNA
SCHEMBL24324633 0.83 HPGD (0.41) HPGDALDH1A1USP2ITGB3ITGB1
SCHEMBL3776442 0.79 ITGB1 (0.47) ITGB3ITGB1ITGAVITGA5MMP1
SCHEMBL27308454 0.79 ITGB3 (0.49) HPGDALDH1A1USP2ITGB3ITGB1

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 4 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-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

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 HPGD 4112/4885ALDH1A1 4096/4885USP2 2670/4885
US-20150284425-A1 Potent and Efficient Cytotoxic Peptides and Antibody-Drug Conjugates thereof and Their Synthesis NGLY1, VIP, DNPEP HPGD 4112/4885ALDH1A1 4096/4885USP2 2670/4885

“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.