SCHEMBL216900

SCHEMBL216900

CC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.54
HSD17B2 P37059 2/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2A6 P11509 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
HDAC6 Q9UBN7 6/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC4 P56524 1/20 0.53
IL2 P60568 1/20 0.52
MCHR1 Q99705 1/20 0.48
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HPGDS O60760 1/20 0.48
NSD2 O96028 1/20 0.47
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL1988233 0.86 HPGDS (0.65) HSD17B1HSD17B2HDAC6HDAC1HDAC4
SCHEMBL13483897 0.86 CYP3A4 (0.55) HSD17B1HSD17B2CYP3A4CYP2A6CYP2C9
SCHEMBL219909 0.86 HDAC6 (0.59) CYP3A4CYP2A6CYP2C9CYP2C19HDAC6
SCHEMBL27794739 0.84 HSD17B1 (0.51) HSD17B1HSD17B2HDAC6HDAC1HDAC4
SCHEMBL31729801 0.81 NSD2 (0.50) HSD17B1HSD17B2CYP3A4CYP2A6CYP2C9
SCHEMBL1199201 0.81 MAPT (0.60) HSD17B1HSD17B2CYP2C9CYP2C19HDAC6
SCHEMBL3097763 0.80 RAB9A (0.67) CYP3A4CYP2A6CYP2C9CYP2C19HDAC6
SCHEMBL13680649 0.80 HSD17B1 (0.63) HSD17B1HSD17B2CYP3A4CYP2A6CYP2C9
SCHEMBL18002144 0.79 ERN1 (0.53) HSD17B1HSD17B2CYP3A4CYP2A6CYP2C9
SCHEMBL15177332 0.77 RAB9A (0.73) CYP3A4CYP2A6CYP2C9CYP2C19HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079722-B1 SUBSTITUTED 3-PHENYL-1-(PHENYLTHIENYL)PROPAN-1-ONE AND 3-PHENYL-1-(PHENYLFURANYL)PROPAN-1-ONE DERIVATIVES, AND PREPARATION AND USE OF SAME GENFIT (FR) 2015-06-17 EP disclosed
EP-2079722-B1 SUBSTITUTED 3-PHENYL-1-(PHENYLTHIENYL)PROPAN-1-ONE AND 3-PHENYL-1-(PHENYLFURANYL)PROPAN-1-ONE DERIVATIVES, AND PREPARATION AND USE OF SAME GENFIT (FR) 2015-06-17 EP disclosed
US-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
US-8088819-B2 Derivatives of substituted 3-phenyl-1-(phenylthienyl)propan-1-ones and of 3-phenyl-1-(phenylfuranyl) propan-1-ones, preparation and use GENFIT (FR) 2012-01-03 US disclosed
US-8088819-B2 Derivatives of substituted 3-phenyl-1-(phenylthienyl)propan-1-ones and of 3-phenyl-1-(phenylfuranyl) propan-1-ones, preparation and use GENFIT (FR) 2012-01-03 US disclosed
US-8088819-B2 Derivatives of substituted 3-phenyl-1-(phenylthienyl)propan-1-ones and of 3-phenyl-1-(phenylfuranyl) propan-1-ones, preparation and use GENFIT (FR) 2012-01-03 US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 US disclosed
US-20100029745-A1 DERIVATIVES OF SUBSTITUTED 3-PHENYL-1-(PHENYLTHIENYL)PROPAN-1-ONES AND OF 3-PHENYL-1-(PHENYLFURANYL) PROPAN-1-ONES, PREPARATION AND USE GENFIT (FR) 2010-02-04 US disclosed
US-20100029745-A1 DERIVATIVES OF SUBSTITUTED 3-PHENYL-1-(PHENYLTHIENYL)PROPAN-1-ONES AND OF 3-PHENYL-1-(PHENYLFURANYL) PROPAN-1-ONES, PREPARATION AND USE GENFIT (FR) 2010-02-04 US disclosed
US-20100029745-A1 DERIVATIVES OF SUBSTITUTED 3-PHENYL-1-(PHENYLTHIENYL)PROPAN-1-ONES AND OF 3-PHENYL-1-(PHENYLFURANYL) PROPAN-1-ONES, PREPARATION AND USE GENFIT (FR) 2010-02-04 US disclosed
EP-2079722-A2 SUBSTITUTED 3-PHENYL-1-(PHENYLTHIENYL)PROPAN-1-ONE AND 3-PHENYL-1-(PHENYLFURANYL)PROPAN-1-ONE DERIVATIVES, AND PREPARATION AND USE OF SAME Genfit (FR) 2009-07-22 EP disclosed
WO-2008087366-A2 SUBSTITUTED 3-PHENYL-1-(PHENYLTHIENYL)PROPAN-1-ONE AND 3-PHENYL-1-(PHENYLFURANYL)PROPAN-1-ONE DERIVATIVES, AND PREPARATION AND USE OF SAME GENFIT (FR) 2008-07-24 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 (2 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-20100029745-A1 DERIVATIVES OF SUBSTITUTED 3-PHENYL-1-(PHENYLTHIENYL)PROPAN-1-ONES AND OF 3-PHENYL-1-(PHENYLFURANYL) PROPAN-1-ONES, PREPARATION AND USE TPP1, NAT1, PGC HSD17B1 2980/4885HSD17B2 3911/4885CYP3A4 267/4885
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF PDE3B, PDE5A, PDE2A HSD17B1 248/4885HSD17B2 220/4885CYP3A4 967/4885

“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.