SCHEMBL4183100

SCHEMBL4183100

NC(CC(=O)O)Oc1ccc(I)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
LDHA P00338 1/20 0.38
TPMT P51580 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC6A4 P31645 1/20 0.36
KIF11 P52732 1/20 0.35
LTA4H P09960 3/20 0.35
KMT2A Q03164 1/20 0.34
PDPK1 O15530 1/20 0.34
CA12 O43570 1/20 0.34
ATM Q13315 1/20 0.34
FFAR1 O14842 1/20 0.34

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
SCHEMBL4170593 0.83 KMT2A (0.45) LTA4HKMT2AFFAR1
SCHEMBL4187784 0.82 L3MBTL1 (0.47) POLBL3MBTL1KMT2AFFAR1
SCHEMBL4173523 0.82 PPARG (0.50) LTA4HKMT2A
SCHEMBL4180718 0.82 PPARG (0.47) LTA4HFFAR1
SCHEMBL4187187 0.82 LDHA (0.55) RXRARXRBLDHACA1CA2
Hydrochloric Acid SCHEMBL7379173 0.72 SLC6A4 (0.41) CA1CA2CA9SLC6A4
SCHEMBL5720978 0.72 ANPEP (0.43) TPMTPOLBTDP1KIF11KMT2A
SCHEMBL5720976 0.72 ANPEP (0.43) TPMTPOLBTDP1KIF11KMT2A
SCHEMBL4183099 0.71 PPARG (0.46) LDHA
SCHEMBL11884497 0.69 PARP10 (0.41) RXRARXRBLDHATPMTCA1

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-20090227680-A1 Amino Acid Derivatives PFIZER, INC. (US) 2009-09-10 US claimed
EP-1951655-A2 AMINO ACID DERIVATIVES Pfizer Limited (GB) 2008-08-06 EP claimed
WO-2007057767-A2 AMINO ACID DERIVATIVES PFIZER LIMITED (GB) 2007-05-24 WO claimed
US-20090227680-A1 Amino Acid Derivatives PFIZER, INC. (US) 2009-09-10 US disclosed
EP-1951655-A2 AMINO ACID DERIVATIVES Pfizer Limited (GB) 2008-08-06 EP disclosed
WO-2007057767-A2 AMINO ACID DERIVATIVES PFIZER LIMITED (GB) 2007-05-24 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 (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-20090227680-A1 Amino Acid Derivatives OPRL1, OPRK1, AVPR1A RXRA 1339/4885RXRB 2420/4885LDHA 784/4885

“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.