SCHEMBL413150

SCHEMBL413150

CCOC(=O)c1cc(F)ccc1SCCCC(=O)N(C)c1cccc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.38
LTB4R2 Q9NPC1 3/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
NMT2 O60551 1/20 0.36
NMT1 P30419 1/20 0.36
CSNK1D P48730 1/20 0.36
JAK2 O60674 1/20 0.35
JAK3 P52333 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
SCHEMBL417155 0.91 LMNA (0.42) POLBALDH1A1LMNA
SCHEMBL413532 0.86 MAPT (0.45) POLBALDH1A1TSHRHTTMEN1
SCHEMBL417882 0.81 TSHR (0.44) POLBSMN1; SMN2TDP1ALDH1A1TSHR
SCHEMBL412584 0.77 TSHR (0.40) POLBSMN1; SMN2TDP1ALDH1A1TSHR
SCHEMBL4144101 0.72 LTB4R2 (0.52) ALDH1A1LTB4R2HTTMEN1KMT2A
SCHEMBL28746573 0.72 LTB4R2 (0.47) SMN1; SMN2ALDH1A1LTB4R2HTTKDM4E
SCHEMBL2089293 0.71 LMNA (0.50) POLBSMN1; SMN2TDP1TSHRLTB4R2
SCHEMBL413450 0.69 ACHE (0.47) SMN1; SMN2TDP1ALDH1A1MEN1KMT2A
SCHEMBL419649 0.68 ALDH1A1 (0.38) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL11351438 0.66 GPBAR1 (0.41) ALDH1A1LTB4R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2012-01-26 US claimed
US-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2012-01-26 US disclosed
EP-2376431-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2011-10-19 EP disclosed
WO-2010066847-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS CELLVIR (FR) 2010-06-17 WO 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-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS HAVCR2, MAVS, EIF2AK2 POLB 444/4885SMN1; SMN2 4050/4885TDP1 4076/4885

“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.