SCHEMBL2170643

SCHEMBL2170643

CCC(=O)Nc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.76
RAB9A P51151 7/20 0.75
SMN1; SMN2 Q16637 5/20 0.75
ALDH1A1 P00352 3/20 0.75
NPC1 O15118 5/20 0.74
KMT2A Q03164 2/20 0.66
GAA P10253 1/20 0.66
NOX1 Q9Y5S8 1/20 0.65
HPGD P15428 1/20 0.65
CASP3 P42574 1/20 0.64
SENP8 Q96LD8 1/20 0.64
SENP7 Q9BQF6 1/20 0.64
SENP6 Q9GZR1 1/20 0.64
GPR55 Q9Y2T6 1/20 0.64
MEN1 O00255 1/20 0.64

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
SCHEMBL21067416 0.86 LTA4H (1.00) LTA4HRAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL4337193 0.85 RAB9A (0.75) LTA4HRAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL3224230 0.85 LTA4H (0.76) LTA4HRAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL4075780 0.85 LTA4H (0.84) LTA4HRAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL5659338 0.85 LTA4H (0.76) LTA4HRAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL7932279 0.85 LTA4H (0.76) LTA4HRAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL2750411 0.84 SMN1; SMN2 (0.75) LTA4HRAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL7448618 0.84 LTA4H (0.72) LTA4HRAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL1142086 0.84 LTA4H (0.64) LTA4HRAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL4666205 0.84 RAB9A (0.74) LTA4HRAB9ASMN1; SMN2ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2349252-A2 SYNERGISTIC COMBINATION OF SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS AND ANTIMICROTUBULE AGENTS Exelixis, Inc. (US) 2011-08-03 EP disclosed
EP-2346821-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS Exelixis, Inc. (US) 2011-07-27 EP disclosed
WO-2010045580-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS EXELIXIS, INC. (US) 2010-04-22 WO disclosed
WO-2010045601-A2 SYNERGISTIC EFFECTS BETWEEN SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS AND ANTIMICROTUBULE AGENTS EXELIXIS, INC. (US) 2010-04-22 WO disclosed
US-20090247734-A1 Chemically Derivatized CD4 and Uses Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-10-01 US disclosed
US-20090247734-A1 Chemically Derivatized CD4 and Uses Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-10-01 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-20090247734-A1 Chemically Derivatized CD4 and Uses Thereof CD4, CD40LG, CD14 LTA4H 265/4885RAB9A 4442/4885SMN1; SMN2 4854/4885

“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.