SCHEMBL903565

SCHEMBL903565

N[C@H](COCc1ccc(C(=O)O)cc1)Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.57
ANPEP P15144 1/20 0.56
ENPEP Q07075 1/20 0.56
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
SLC1A1 P43005 1/20 0.50
MMP2 P08253 3/20 0.49
ALDH1A1 P00352 1/20 0.48
SRD5A2 P31213 1/20 0.47
MAOB P27338 1/20 0.46
EPHX1 P07099 1/20 0.46
CA1 P00915 1/20 0.45
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45

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
Trifluoroacetic Acid SCHEMBL15284067 0.89 RXRA (0.48) TACR1ANPEPENPEPNR4A1NR4A2
SCHEMBL903438 0.86 TACR1 (0.56) TACR1SLC1A1MMP2CA1
SCHEMBL18579716 0.86 TACR1 (0.73) TACR1ANPEPSLC1A1EPHX1CA1
SCHEMBL903590 0.86 TACR1 (0.73) TACR1ANPEPSLC1A1EPHX1CA1
SCHEMBL18579714 0.86 TACR1 (0.73) TACR1ANPEPSLC1A1EPHX1CA1
Hydrochloric Acid SCHEMBL15284115 0.85 TACR1 (0.54) TACR1SLC1A1MMP2CA1
Hydrochloric Acid SCHEMBL901442 0.84 TACR1 (0.71) TACR1ANPEPSLC1A1EPHX1CA1
Hydrochloric Acid SCHEMBL6735402 0.84 TACR1 (0.71) TACR1ANPEPSLC1A1EPHX1CA1
Hydrochloric Acid SCHEMBL6898377 0.84 TACR1 (0.71) TACR1ANPEPSLC1A1EPHX1CA1
SCHEMBL27832128 0.81 NR4A1 (0.67) NR4A1NR4A2NR4A3ALDH1A1SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621508-B1 N-CARBOXYALKYL AURISTATINS AND THE USE THEREOF SEATTLE GENETICS INC (US) 2015-08-26 EP 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-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 TACR1 2644/4885ANPEP 30/4885ENPEP 81/4885
US-20150148298-A1 N-CARBOXYALKYL-AURISTATIN AND USE THEREOF HDGF, HGFAC, HGF TACR1 2782/4885ANPEP 37/4885ENPEP 92/4885

“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.