SCHEMBL1132286

SCHEMBL1132286

O=C(Cc1ccc(C(F)(F)F)cc1)N=C=S

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.50
PIK3CA P42336 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
SRD5A2 P31213 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
CNR2 P34972 2/20 0.40
NLRP3 Q96P20 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
MAPK8 P45983 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
SCHEMBL105873 0.81 MIF (0.48) MIF
SCHEMBL3574828 0.77 CTBP2 (0.47) MIFPIK3CACNR2
SCHEMBL16280718 0.77 CTBP2 (0.47) HDAC1HDAC8
SCHEMBL5825140 0.77 CES2 (0.39) MIFCES2CES1
SCHEMBL371856 0.77 CES1 (0.50) MIFHDAC8CES2CES1
SCHEMBL13167103 0.75 FFAR1 (0.36) PTPN1
Acetonitrile SCHEMBL4322763 0.74 MIF (0.42) MIF
SCHEMBL4305804 0.74 PIK3CA (0.56) PIK3CAHDAC1HDAC8PSEN1PSEN2
SCHEMBL267205 0.72 RXRA (0.68) PIK3CAHDAC1HDAC8PSEN1PSEN2
SCHEMBL15515090 0.72 PIK3CA (0.54) PIK3CAHDAC1HDAC8PSEN1PSEN2

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
EP-2287155-B1 ACYLTHIOUREA COMPOUND OR SALT THEREOF, AND USE THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2013-07-17 EP disclosed
US-8304427-B2 Acylthiourea compound or salt thereof, and use thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2012-11-06 US disclosed
EP-2287155-A1 ACYLTHIOUREA COMPOUND OR SALT THEREOF, AND USE OF THE COMPOUND OR THE SALT Taiho Pharmaceutical Co., Ltd. (JP) 2011-02-23 EP disclosed
US-20110034439-A1 ACYLTHIOUREA COMPOUND OR SALT THEREOF, AND USE THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2011-02-10 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-20110034439-A1 ACYLTHIOUREA COMPOUND OR SALT THEREOF, AND USE THEREOF MET, HGF, STAT6 MIF 734/4885PIK3CA 1912/4885HDAC1 149/4885

“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.