SCHEMBL3300429

SCHEMBL3300429

O=C(NCCc1ccccc1)N(S)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.52
PLAAT3 P53816 1/20 0.50
PLAAT5 Q96KN8 1/20 0.50
PLAAT2 Q9NWW9 1/20 0.50
PLAAT4 Q9UL19 1/20 0.50
LTA4H P09960 1/20 0.46
EPHX2 P34913 1/20 0.46
GLA P06280 1/20 0.46
MLYCD O95822 2/20 0.45
MAPT P10636 2/20 0.43
TRPA1 O75762 1/20 0.42
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CCR2 P41597 2/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL3297438 0.88 CNR1 (0.53) TACR1MAPTNPC1RAB9A
SCHEMBL3305183 0.87 CNR1 (0.49) TACR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL4349030 0.82 RAB9A (0.49) PLAAT3PLAAT5PLAAT2PLAAT4CA12
SCHEMBL3302246 0.80 CA12 (0.52) MAPTCA12CA2CA9
SCHEMBL6815978 0.78 TACR1 (0.46) TACR1MLYCDCCR2
SCHEMBL4350012 0.78 HDAC2 (0.47) PLAAT5PLAAT4CA12CA2CA9
SCHEMBL4346980 0.78 CA2 (0.48) PLAAT3PLAAT5PLAAT2PLAAT4MAPT
SCHEMBL4058379 0.77 TRPV1 (0.48) PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL4056627 0.77 MEN1 (0.49) EPHX2MLYCDMAPT
SCHEMBL7866856 0.76 PLAAT3 (0.46) PLAAT3PLAAT5PLAAT2PLAAT4LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093864-A1 ANTI-INFECTIVE THIOUREA COMPOUNDS LICA PHARMACEUTICALS (DK) 2010-04-15 US claimed
US-20100093864-A1 ANTI-INFECTIVE THIOUREA COMPOUNDS LICA PHARMACEUTICALS (DK) 2010-04-15 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-20100093864-A1 ANTI-INFECTIVE THIOUREA COMPOUNDS TST, TPX2, TPMT TACR1 2235/4885PLAAT3 4711/4885PLAAT5 4677/4885

“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.