SCHEMBL903518

SCHEMBL903518

N[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.57
SLC7A5 Q01650 2/20 0.56
ALPI P09923 1/20 0.56
PKM P14618 1/20 0.56
PTGS1 P23219 1/20 0.56
XIAP P98170 1/20 0.56
SLC15A1 P46059 1/20 0.53
CTSC P53634 1/20 0.52
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
LTA4H P09960 1/20 0.50
CTRB1 P17538 5/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NAMPT P43490 1/20 0.48
TPH1 P17752 1/20 0.48
PIN1 Q13526 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.47

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
SCHEMBL28056454 1.00 TACR1 (0.57) TACR1SLC7A5ALPIPKMPTGS1
Hydrochloric Acid SCHEMBL17022867 0.98 TACR1 (0.56) TACR1SLC7A5ALPIPKMPTGS1
SCHEMBL5743374 0.85 NAMPT (0.62) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL7700701 0.85 NAMPT (0.62) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL9364023 0.85 SLC7A5 (0.61) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL14639419 0.84 HDAC1 (0.50) TACR1SLC7A5ALPIPKMPTGS1
SCHEMBL11425334 0.80 SLC7A5 (0.57) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL17844273 0.79 ALPI (0.68) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL8115805 0.78 TACR1 (0.73) TACR1CTRB1
SCHEMBL1168389 0.78 ALPI (0.66) SLC7A5ALPIPKMPTGS1XIAP

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
CN-103379912-B Positive carboxyalkyl ear statin and application thereof SEATTLE GENETICS, INC. (US) 2016-03-16 CN disclosed
EP-2621508-B1 N-CARBOXYALKYL AURISTATINS AND THE USE THEREOF SEATTLE GENETICS INC (US) 2015-08-26 EP 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-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 TACR1 2644/4885SLC7A5 1669/4885ALPI 2038/4885
US-20150148298-A1 N-CARBOXYALKYL-AURISTATIN AND USE THEREOF HDGF, HGFAC, HGF TACR1 2782/4885SLC7A5 1116/4885ALPI 1913/4885

“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.