SCHEMBL5869837

SCHEMBL5869837

CCOC(=O)[C@H](Cc1ccc(Cc2cc(Cl)cc(Cl)c2)cc1)N[C@@H](CC(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.43
CTSK P43235 5/20 0.42
CTSL P07711 1/20 0.42
POLB P06746 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CAPN1 P07384 1/20 0.41
CTSB P07858 1/20 0.41
S1PR4 O95977 1/20 0.41
S1PR1 P21453 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
SCHEMBL5869835 1.00 TACR1 (0.43) TACR1CTSKCTSLPOLBHSD17B10
SCHEMBL5869840 1.00 TACR1 (0.43) TACR1CTSKCTSLPOLBHSD17B10
SCHEMBL5870083 0.92 CTSK (0.48) TACR1CTSKCTSLPOLBHSD17B10
SCHEMBL5870079 0.92 CTSK (0.48) TACR1CTSKCTSLPOLBHSD17B10
SCHEMBL5870077 0.92 CTSK (0.48) TACR1CTSKCTSLPOLBHSD17B10
SCHEMBL5869453 0.90 CTSK (0.44) TACR1CTSKCTSLPOLBHSD17B10
SCHEMBL5869446 0.90 CTSK (0.44) TACR1CTSKCTSLPOLBHSD17B10
SCHEMBL5869447 0.90 CTSK (0.44) TACR1CTSKCTSLPOLBHSD17B10
SCHEMBL5870551 0.90 LMNA (0.48) TACR1CTSKCTSL
SCHEMBL7535066 0.90 LMNA (0.48) TACR1CTSKCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7045532-B2 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-16 US disclosed
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 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 (1 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-20040082496-A1 ACE-2 modulating compounds and methods of use thereof ACE, ACE2, AGTR2 TACR1 119/4885CTSK 541/4885CTSL 911/4885

“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.