SCHEMBL417586

SCHEMBL417586

CN(CCCC(=O)O)c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP14 P50281 1/20 0.55
LTA4H P09960 2/20 0.47
FFAR4 Q5NUL3 6/20 0.44
FOLH1 Q04609 1/20 0.44
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
KMT2A Q03164 1/20 0.40
GMNN O75496 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
GABRA1 P14867 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
THPO P40225 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40

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
SCHEMBL12892567 0.86 MMP14 (0.57) MMP14FFAR4LMNASMN1; SMN2GMNN
SCHEMBL14570563 0.84 MMP14 (0.56) MMP14LMNASMN1; SMN2KMT2AGMNN
SCHEMBL2677344 0.84 MMP14 (0.55) MMP14LTA4HFFAR4SMN1; SMN2KMT2A
SCHEMBL17472947 0.83 MMP14 (0.55) MMP14FFAR4LMNASMN1; SMN2GMNN
SCHEMBL10905254 0.83 MMP14 (0.55) MMP14FFAR4LMNASMN1; SMN2GMNN
SCHEMBL9173356 0.83 MMP14 (0.55) MMP14LMNASMN1; SMN2RXRAGMNN
SCHEMBL10422235 0.79 HPGD (0.57) MMP14FFAR4KMT2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL11503465 0.79 MMP14 (0.61) MMP14FFAR4LMNASMN1; SMN2KMT2A
SCHEMBL11562183 0.79 POLB (0.38) LTA4HSMN1; SMN2KDM4EALDH1A1
SCHEMBL17598200 0.79 MMP14 (0.50) MMP14LTA4HFFAR4SMN1; SMN2MAPT

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 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
EP-2196453-A1 Novel substituted aryl derivatives, their process of preparation and their therapeutical uses as anti-HIV agents Cellvir (FR) 2010-06-16 EP 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 MMP14 3214/4885LTA4H 3398/4885FFAR4 3303/4885

“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.