SCHEMBL8414549

SCHEMBL8414549

C[C@H](O)[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N(C)C)C(=O)Nc1ccc(-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.50
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
PTPN1 P18031 2/20 0.39
PTPN11 Q06124 2/20 0.39
ADAM17 P78536 1/20 0.39
PTPN6 P29350 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38

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
SCHEMBL8417900 1.00 TAAR1 (0.50) TAAR1RAB9ANPC1POLBALDH1A1
SCHEMBL13792279 0.87 NPC1 (0.41) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL8220589 0.87 NPC1 (0.41) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL8218621 0.87 NPC1 (0.41) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL13792138 0.87 NPC1 (0.41) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL8208199 0.87 TAAR1 (0.56) TAAR1RAB9ANPC1POLBALDH1A1
SCHEMBL8245314 0.77 TAAR1 (0.62) TAAR1RAB9ANPC1POLBALDH1A1
SCHEMBL8241684 0.76 NPC1 (0.43) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL8414550 0.76 MGLL (0.54) POLBMEN1KMT2A
SCHEMBL8216195 0.75 SLC1A3 (0.48) TAAR1RAB9ANPC1ALDH1A1MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638513-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-12-29 US disclosed
US-7553864-B2 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION (US) 2009-06-30 US disclosed
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-07-19 US disclosed
US-20070129378-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-06-07 US disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 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 (3 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-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, ADAMTS1, ADAM33 TAAR1 2256/4885RAB9A 1661/4885NPC1 481/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF TAAR1 2593/4885RAB9A 2283/4885NPC1 477/4885
US-20070129378-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, PCSK9, ALPI TAAR1 2448/4885RAB9A 922/4885NPC1 415/4885

“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.