SCHEMBL903514

SCHEMBL903514

N[C@@H](Cc1ccccc1)C(=O)OCc1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.54
SLC1A2 P43004 1/20 0.54
SLC1A1 P43005 1/20 0.54
FFAR1 O14842 1/20 0.49
AKR1B1 P15121 1/20 0.49
ALPI P09923 1/20 0.49
PKM P14618 1/20 0.49
PTGS1 P23219 1/20 0.49
XIAP P98170 1/20 0.49
SLC7A5 Q01650 1/20 0.49
EPHX1 P07099 1/20 0.48
TACR1 P25103 2/20 0.47
CTNNB1 P35222 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PARP10 Q53GL7 1/20 0.46
PSMB5 P28074 1/20 0.46
HRH4 Q9H3N8 1/20 0.45
METAP2 P50579 1/20 0.44

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
Hydrochloric Acid SCHEMBL27923214 0.99 SLC1A3 (0.53) SLC1A3SLC1A2SLC1A1FFAR1AKR1B1
SCHEMBL7873917 0.89 SLC1A3 (0.51) SLC1A3SLC1A2SLC1A1FFAR1AKR1B1
SCHEMBL6473973 0.89 SLC1A3 (0.51) SLC1A3SLC1A2SLC1A1FFAR1AKR1B1
Hydrochloric Acid SCHEMBL6473967 0.88 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1FFAR1AKR1B1
SCHEMBL10934506 0.82 SLC1A3 (0.53) SLC1A3SLC1A2SLC1A1FFAR1AKR1B1
SCHEMBL8453872 0.81 PPARG (0.57) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL3099705 0.80 SLC7A5 (0.63) SLC1A3SLC1A2SLC1A1ALPIPKM
SCHEMBL73708 0.80 SLC7A5 (0.63) SLC1A3SLC1A2SLC1A1ALPIPKM
SCHEMBL73707 0.80 SLC7A5 (0.63) SLC1A3SLC1A2SLC1A1ALPIPKM
Hydrochloric Acid SCHEMBL8028705 0.80 PPARG (0.56) ALPIPKMPTGS1XIAPSLC7A5

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-20150148298-A1 N-CARBOXYALKYL-AURISTATIN AND USE THEREOF SEATTLE GENETICS, INC. (US) 2015-05-28 US disclosed
US-20150148298-A1 N-CARBOXYALKYL-AURISTATIN AND USE THEREOF SEATTLE GENETICS, INC. (US) 2015-05-28 US disclosed
US-8987209-B2 N-carboxyalkyl-auristatin and the use thereof SEATTLE GENETICS, INC. (US) 2015-03-24 US disclosed
US-8987209-B2 N-carboxyalkyl-auristatin and the use thereof SEATTLE GENETICS, INC. (US) 2015-03-24 US disclosed
US-20130261064-A1 N-CARBOXYALKYL-AURISTATIN AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-03 US disclosed
US-20130261064-A1 N-CARBOXYALKYL-AURISTATIN AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-03 US disclosed
WO-2012041805-A1 N-CARBOXYALKYL AURISTATINS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-04-05 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 (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-20130261064-A1 N-CARBOXYALKYL-AURISTATIN AND THE USE THEREOF HDGF, HGF, HGFAC SLC1A3 3425/4885SLC1A2 4507/4885SLC1A1 3739/4885
US-20150148298-A1 N-CARBOXYALKYL-AURISTATIN AND USE THEREOF HDGF, HGFAC, HGF SLC1A3 3229/4885SLC1A2 4315/4885SLC1A1 3492/4885

“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.