SCHEMBL412584

SCHEMBL412584

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
NMT2 O60551 1/20 0.38
NMT1 P30419 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA2 P00918 1/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
MAPK1 P28482 1/20 0.36
ALOX5 P09917 1/20 0.35
MAPT P10636 2/20 0.35
CASP3 P42574 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
SENP7 Q9BQF6 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
SCHEMBL417882 0.85 TSHR (0.44) TSHRNMT2NMT1MEN1KMT2A
SCHEMBL413150 0.77 POLB (0.41) TSHRNMT2NMT1MEN1KMT2A
SCHEMBL21465421 0.75 TSHR (0.44) TSHRMEN1KMT2APOLBSMN1; SMN2
SCHEMBL413532 0.75 MAPT (0.45) TSHRNMT2NMT1MEN1KMT2A
SCHEMBL4627481 0.74 TSHR (0.50) TSHRMEN1KMT2APOLBSMN1; SMN2
SCHEMBL417155 0.73 LMNA (0.42) POLBHPGDLMNAMAPTALDH1A1
SCHEMBL7443462 0.72 CYP4F2 (0.43) TSHRMEN1KMT2ASMN1; SMN2TDP1
SCHEMBL419649 0.71 ALDH1A1 (0.38) TSHRNMT1MEN1KMT2ACA2
SCHEMBL24022095 0.71 SMN1; SMN2 (0.44) TSHRMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL7072045 0.69 TSHR (0.50) TSHRMEN1KMT2ASMN1; SMN2TDP1

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 4221/4885NMT2 2771/4885NMT1 2257/4885

“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.