SCHEMBL413122

SCHEMBL413122

O=C(O)CCCSc1ccc(C(F)(F)F)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.64
EPHX2 P34913 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.44
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
DRD3 P35462 1/20 0.43
PPARD Q03181 1/20 0.42
FFAR1 O14842 2/20 0.42
HRH3 Q9Y5N1 1/20 0.42
LTB4R Q15722 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
HDAC3 O15379 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
SCHEMBL11605828 0.90 ALDH1A1 (0.49) ALDH1A1EPHX2L3MBTL1PPARDFFAR1
SCHEMBL16484978 0.85 ALDH1A1 (0.45) ALDH1A1EPHX2HTR1ADRD2HTR2A
SCHEMBL19771849 0.83 HTR1A (0.43) ALDH1A1EPHX2L3MBTL1HTR1ADRD2
SCHEMBL414504 0.81 ALDH1A1 (0.70) ALDH1A1L3MBTL1FFAR1LMNASMN1; SMN2
SCHEMBL10587532 0.81 HDAC1 (0.42) ALDH1A1HTR1ADRD2HTR2ADRD3
SCHEMBL9621630 0.81 ALDH1A1 (0.43) ALDH1A1HTR1ADRD2HTR2ADRD3
SCHEMBL3078570 0.79 FFAR1 (0.59) ALDH1A1L3MBTL1PPARDFFAR1SMN1; SMN2
SCHEMBL416482 0.79 ALDH1A1 (0.72) ALDH1A1FFAR1LMNASMN1; SMN2NPC1
SCHEMBL4102907 0.78 HDAC1 (0.43) ALDH1A1HTR1ADRD2HTR2ADRD3
SCHEMBL1932191 0.78 ALDH1A1 (1.00) ALDH1A1FFAR1LMNASMN1; SMN2NPC1

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
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
US-4086240-A 1-Thiazolyl-5-phenoxy and phenylthioalkanoyloxyimidazolidinones VELSICOL CHEMICAL CORPORATION (US) 1978-04-25 US disclosed
US-4053480-A 1-THIADIAZOLYL-5-PHENOXY- AND PHENYLTHIOALKANOYLOXY IMIDAZOLIDINONES VELSICOL CHEMICAL CORPORATION (US) 1977-10-11 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-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS HAVCR2, MAVS, EIF2AK2 ALDH1A1 455/4885EPHX2 3548/4885L3MBTL1 3171/4885

“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.