SCHEMBL13062299

SCHEMBL13062299

CC1CCCN(C(=O)[C@H](C(C)C)n2cc(CNC(=O)c3ccc(S)cc3)nn2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MAPK1 P28482 3/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 4/20 0.39
HPGD P15428 4/20 0.39
POLB P06746 2/20 0.39
DPP7 Q9UHL4 1/20 0.36
RECQL P46063 1/20 0.36
MIF P14174 2/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35

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
SCHEMBL13078018 1.00 RAB9A (0.40) RAB9ASMN1; SMN2MAPK1ALDH1A1KDM4E
SCHEMBL3735796 0.88 CA1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL13042177 0.88 CA1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL13012436 0.88 CA1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL13078020 0.73 CA12 (0.52) RAB9AMAPK1ALDH1A1KDM4EHPGD
SCHEMBL13062302 0.71 TRPV1 (0.45) RAB9ASMN1; SMN2NPC1POLBMIF
SCHEMBL13012368 0.68 CA2 (0.75) HPGDDPP7CA12CA1CA2
SCHEMBL3735550 0.68 CA2 (0.75) HPGDDPP7CA12CA1CA2
SCHEMBL13042138 0.68 CA2 (0.75) HPGDDPP7CA12CA1CA2
SCHEMBL10181079 0.68 SMN1; SMN2 (0.48) RAB9ASMN1; SMN2ALDH1A1KDM4ENPC1

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 1 patent. 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

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 RAB9A 900/4885SMN1; SMN2 4854/4885MAPK1 4057/4885

“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.