SCHEMBL3175279

SCHEMBL3175279

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

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 5/20 0.59
LTA4H P09960 1/20 0.54
ANPEP P15144 1/20 0.54
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
TAAR1 Q96RJ0 1/20 0.47
FPR2 P25090 1/20 0.46
NAALAD2 Q9Y3Q0 1/20 0.45
LMNA P02545 2/20 0.44
MAPK1 P28482 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.43

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
SCHEMBL31656407 1.00 CTRB1 (0.59) CTRB1LTA4HANPEPCA1CA2
SCHEMBL29697050 0.94 CTRB1 (0.54) CTRB1LTA4HANPEPCA1CA2
SCHEMBL2961809 0.88 CTRB1 (0.58) CTRB1LTA4HANPEPTAAR1LMNA
SCHEMBL11354701 0.86 FOLH1 (0.55) CTRB1LTA4HANPEPNAALAD2KMT2A
SCHEMBL11354402 0.86 FOLH1 (0.55) CTRB1LTA4HANPEPNAALAD2KMT2A
SCHEMBL12864508 0.85 LTA4H (0.56) LTA4HANPEPCA1CA2FPR2
SCHEMBL8310215 0.85 LTA4H (0.56) LTA4HANPEPCA1CA2FPR2
Bromide SCHEMBL11351543 0.85 FOLH1 (0.54) CTRB1LTA4HANPEPNAALAD2KMT2A
Bromide SCHEMBL11346347 0.85 FOLH1 (0.54) CTRB1LTA4HANPEPNAALAD2KMT2A
SCHEMBL2184423 0.84 CA1 (0.49) CTRB1LTA4HANPEPCA1CA2

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
US-8334266-B2 Process for and intermediates in the preparation of canfosfamide and its salts TELIK, INC. (US) 2012-12-18 US disclosed
US-20120238772-A1 PROCESS FOR AND INTERMEDIATES IN THE PREPARATION OF CANFOSFAMIDE AND ITS SALTS TELIK, INC. 2012-09-20 US disclosed
US-8198247-B2 Process for and intermediates in the preparation of canfosfamide and its salts TELIK, INC. (US) 2012-06-12 US disclosed
US-7655799-B2 2{[2-(substituted amino)ethyl]sulfonyl}ethyl N,N,N',N'-tetrakis(2-chloroethyl)phosphorodiamidates TELIK, INC. (US) 2010-02-02 US disclosed
US-20080125398-A1 2-ETHYL N,N,N',N'-tetrakis(2-chloroethyl)phosphorodiamidates TELIK, INC. 2008-05-29 US disclosed
US-20060135409-A1 Process for and intermediates in the preparation of canfosfamide and its salts TELIK, INC. 2006-06-22 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 (3 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-20060135409-A1 Process for and intermediates in the preparation of canfosfamide and its salts WEE1, WEE2, TYMP CTRB1 3912/4885LTA4H 4193/4885ANPEP 918/4885
US-20080125398-A1 2-ETHYL N,N,N',N'-tetrakis(2-chloroethyl)phosphorodiamidates NCL, NEK2, NME2 CTRB1 4389/4885LTA4H 4525/4885ANPEP 128/4885
US-20120238772-A1 PROCESS FOR AND INTERMEDIATES IN THE PREPARATION OF CANFOSFAMIDE AND ITS SALTS WEE1, WEE2, TYMP CTRB1 3912/4885LTA4H 4193/4885ANPEP 918/4885

“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.