SCHEMBL417882

SCHEMBL417882

CCOC(=O)c1cc(F)ccc1SCCCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
GLA P06280 1/20 0.42
NMT2 O60551 1/20 0.41
NMT1 P30419 1/20 0.41
PTGS2 P35354 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA2 P00918 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL412584 0.85 TSHR (0.40) TSHRMEN1KMT2ANMT2NMT1
SCHEMBL413150 0.81 POLB (0.41) TSHRMEN1KMT2ANMT2NMT1
SCHEMBL413532 0.80 MAPT (0.45) TSHRMEN1KMT2AGLANMT2
SCHEMBL417155 0.78 LMNA (0.42) POLBHPGDLMNAALDH1A1MAPT
SCHEMBL419649 0.75 ALDH1A1 (0.38) TSHRMEN1KMT2AGLANMT1
SCHEMBL4628672 0.73 TSHR (0.60) TSHRMEN1KMT2ASMN1; SMN2POLB
SCHEMBL21465419 0.72 TSHR (0.49) TSHRMEN1KMT2ASMN1; SMN2POLB
SCHEMBL8545832 0.72 ALDH1A1 (0.40) TSHRMEN1KMT2AGLASMN1; SMN2
SCHEMBL10562029 0.72 TSHR (0.57) TSHRMEN1KMT2ASMN1; SMN2POLB
SCHEMBL1997075 0.72 TSHR (0.60) TSHRMEN1KMT2ANMT2NMT1

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 3 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 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 TSHR 4221/4885MEN1 4868/4885KMT2A 2843/4885

“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.