SCHEMBL903438

SCHEMBL903438

COC(=O)c1ccc(COC[C@@H](N)Cc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.56
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LNPEP Q9UIQ6 2/20 0.48
MMP2 P08253 2/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
RAB9A P51151 2/20 0.47
MAPT P10636 1/20 0.47
MGLL Q99685 1/20 0.47
SLC7A5 Q01650 1/20 0.47
TSHR P16473 1/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
SLC1A1 P43005 1/20 0.46

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 SCHEMBL15284115 0.99 TACR1 (0.54) TACR1MEN1KMT2ASMN1; SMN2LNPEP
SCHEMBL903565 0.86 TACR1 (0.57) TACR1MMP2CA1SLC1A1
SCHEMBL7967630 0.86 LOXL2 (0.57) MEN1KMT2ASMN1; SMN2CA1CA2
SCHEMBL7967632 0.86 LOXL2 (0.57) MEN1KMT2ASMN1; SMN2CA1CA2
SCHEMBL9233919 0.83 TSHR (0.62) MEN1KMT2ASMN1; SMN2CA1CA2
SCHEMBL18579716 0.81 TACR1 (0.73) TACR1CA1CA2TSHRSLC1A1
SCHEMBL903590 0.81 TACR1 (0.73) TACR1CA1CA2TSHRSLC1A1
SCHEMBL18579714 0.81 TACR1 (0.73) TACR1CA1CA2TSHRSLC1A1
SCHEMBL15284069 0.81 TACR1 (0.46) TACR1MEN1KMT2ASMN1; SMN2MMP2
Hydrochloric Acid SCHEMBL6735402 0.80 TACR1 (0.71) TACR1CA1CA2TSHRSLC1A1

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 8 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
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 2644/4885MEN1 678/4885KMT2A 1641/4885
US-20150148298-A1 N-CARBOXYALKYL-AURISTATIN AND USE THEREOF HDGF, HGFAC, HGF TACR1 2782/4885MEN1 732/4885KMT2A 1400/4885

“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.