SCHEMBL13062082

SCHEMBL13062082

CCOC(=O)C(Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)n1cc(COc2ccc3nc(S)sc3c2)nn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.40
TP53 P04637 2/20 0.40
ALDH1A1 P00352 2/20 0.39
CSNK1D P48730 1/20 0.39
IL1RN P18510 3/20 0.39
ERAP2 Q6P179 3/20 0.39
CYP3A4 P08684 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ERAP1 Q9NZ08 1/20 0.36
HPGD P15428 1/20 0.36
MME P08473 1/20 0.36
ACE P12821 1/20 0.36

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
SCHEMBL13062084 0.92 PTGS2 (0.40) PTGS2TP53CSNK1DIL1RNERAP2
SCHEMBL13012672 0.89 CA2 (0.51) IL1RNERAP2KMT2ATDP1
SCHEMBL13078309 0.88 PTGS2 (0.44) PTGS2CSNK1DIL1RNERAP2CYP3A4
SCHEMBL13062323 0.83 PTGS2 (0.38) PTGS2ALDH1A1CSNK1DIL1RNERAP2
SCHEMBL13062319 0.83 PTGS2 (0.39) PTGS2CSNK1DIL1RNERAP2CYP3A4
SCHEMBL13062085 0.83 IL1RN (0.43) PTGS2ALDH1A1IL1RNERAP2CYP3A4
SCHEMBL13062078 0.82 PTGS2 (0.40) PTGS2IL1RNERAP2CYP3A4ERAP1
SCHEMBL13062305 0.82 PTGS2 (0.38) PTGS2ALDH1A1CSNK1DIL1RNERAP2
SCHEMBL13062081 0.82 TDP1 (0.43) PTGS2CYP3A4MAPTNPC1RAB9A
SCHEMBL13062411 0.82 IDE (0.40) PTGS2ALDH1A1IL1RNERAP2CYP3A4

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-20100317842-A1 Development of Molecular Imaging Probes for Carbonic Anhydrase-IX Using Click Chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-12-16 US disclosed
US-7829063-B2 Development of molecular imaging probes for carbonic anhydrase-IX using click chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-11-09 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-20100317842-A1 Development of Molecular Imaging Probes for Carbonic Anhydrase-IX Using Click Chemistry CA9, CA4, CA13 PTGS2 2181/4885TP53 2735/4885ALDH1A1 387/4885

“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.