SCHEMBL5675802

SCHEMBL5675802

CC1(C)OB(c2ccc(CNC(=O)Nc3ccccc3)cc2)OC1(C)C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.62
RAB9A P51151 8/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
TP53 P04637 1/20 0.62
HPGD P15428 1/20 0.62
POLB P06746 2/20 0.58
MAOB P27338 1/20 0.58
HTT P42858 1/20 0.55
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA9 Q16790 1/20 0.53
MAPT P10636 3/20 0.51
PTPN1 P18031 1/20 0.51
RORC P51449 2/20 0.50
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
PDGFRB P09619 1/20 0.49
KDR P35968 1/20 0.49

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
SCHEMBL5678324 0.86 NPC1 (0.51) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL423204 0.86 PDGFRB (0.61) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL12260303 0.85 SMN1; SMN2 (0.65) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL5674316 0.85 SMN1; SMN2 (0.65) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2572162 0.83 CA1 (0.60) SMN1; SMN2CA1CA2CA9KEAP1
SCHEMBL30693702 0.83 CA1 (0.70) RAB9ATP53POLBCA1CA2
SCHEMBL6862380 0.83 EPHX2 (0.58) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL1571738 0.82 POLB (0.67) RAB9ASMN1; SMN2MEN1KMT2APOLB
SCHEMBL443260 0.81 CA1 (0.49) NPC1CA1CA2CA9PDGFRB
SCHEMBL26697140 0.81 ROCK1 (0.53) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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-20060194823-A1 Sulfonamido-macrocycles as Tie2 inhibitors and the salts thereof, a pharmaceutical composition comprising these compounds, the method of preparing and the use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-08-31 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-20060194823-A1 Sulfonamido-macrocycles as Tie2 inhibitors and the salts thereof, a pharmaceutical composition comprising these compounds, the method of preparing and the use thereof TEK, TIE1, KDR NPC1 4794/4885RAB9A 4168/4885SMN1; SMN2 690/4885

“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.