SCHEMBL8216135

SCHEMBL8216135

CCCCc1ccc(NC(=O)[C@H](O)[C@@H](O)C(=O)N(C)C)cc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.54
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
POLB P06746 1/20 0.52
HPGD P15428 2/20 0.50
SPHK2 Q9NRA0 1/20 0.50
ALDH1A1 P00352 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
SCHEMBL8208217 0.92 SPHK1 (0.47) SPHK1NPC1RAB9ASMN1; SMN2SPHK2
SCHEMBL8216284 0.86 SPHK1 (0.59) SPHK1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL8235534 0.86 SPHK1 (0.59) SPHK1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL16357106 0.81 SPHK1 (0.48) SPHK1NPC1RAB9ASMN1; SMN2SPHK2
SCHEMBL22679410 0.80 NPC1 (0.61) SPHK1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL8208426 0.78 SPHK1 (0.51) SPHK1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL8215635 0.77 NPC1 (0.61) SPHK1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL7613307 0.77 POLB (0.60) SPHK1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL8216298 0.77 PLK1 (0.51) SPHK1NPC1RAB9ASMN1; SMN2SPHK2
SCHEMBL8212561 0.77 TSHR (0.54) NPC1RAB9ASMN1; SMN2POLBALDH1A1

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 12 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-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-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-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-07-19 US disclosed
WO-2007064749-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS AND MICROBIAL DISEASES SCHERING CORPORATION (US) 2007-06-07 WO disclosed
WO-2007064732-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS AND MICROBIAL DISEASES SCHERING CORPORATION (US) 2007-06-07 WO disclosed
US-20070129378-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-06-07 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
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 SPHK1 1278/4885NPC1 481/4885RAB9A 1661/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF SPHK1 1160/4885NPC1 477/4885RAB9A 2283/4885
US-20070129378-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, PCSK9, ALPI SPHK1 1321/4885NPC1 415/4885RAB9A 922/4885

“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.