SCHEMBL13062411

SCHEMBL13062411

O=C(NCc1ccc(F)cc1)[C@H](Cc1ccccc1)n1cc(COc2ccc3nc(S)sc3c2)nn1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDE P14735 1/20 0.40
IL1RN P18510 3/20 0.39
ERAP2 Q6P179 3/20 0.39
MAOB P27338 1/20 0.38
ERAP1 Q9NZ08 1/20 0.38
PTGS2 P35354 3/20 0.38
CYP3A4 P08684 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
AURKB Q96GD4 1/20 0.36
PTGER4 P35408 1/20 0.36
SCD O00767 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
SCHEMBL13062085 0.90 IL1RN (0.43) IL1RNERAP2MAOBERAP1PTGS2
SCHEMBL3734511 0.89 CA2 (0.51) IL1RNERAP2ERAP1
SCHEMBL3734516 0.89 CA2 (0.51) IL1RNERAP2ERAP1
SCHEMBL13062319 0.87 PTGS2 (0.39) IL1RNERAP2ERAP1PTGS2CYP3A4
SCHEMBL13078268 0.86 MAOB (0.40) IDEMAOBCYP3A4MAPTAURKB
SCHEMBL13062078 0.86 PTGS2 (0.40) IL1RNERAP2ERAP1PTGS2CYP3A4
SCHEMBL13062414 0.86 PTGS2 (0.38) IL1RNERAP2ERAP1PTGS2CYP3A4
SCHEMBL13062305 0.86 PTGS2 (0.38) IL1RNERAP2MAOBERAP1PTGS2
SCHEMBL10183089 0.84 CYP3A4 (0.46) IL1RNERAP2ERAP1PTGS2CYP3A4
SCHEMBL13062321 0.83 PTGS2 (0.41) MAOBPTGS2ALDH1A1HPGD

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 IDE 558/4885IL1RN 1995/4885ERAP2 1180/4885

“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.