SCHEMBL899316

SCHEMBL899316

O=C(O)/C=C/C(F)(F)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
TP53 P04637 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44
EGLN3 Q9H6Z9 1/20 0.44
LMNA P02545 2/20 0.35
GABRR1 P24046 2/20 0.32
GABRR2 P28476 2/20 0.32
BLM P54132 2/20 0.32
GABRR3 A8MPY1 1/20 0.32
APEX1 P27695 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL899318 1.00 TSHR (0.44) TSHRTP53EGLN1EGLN3LMNA
SCHEMBL15754827 0.83 TSHR (0.40) TSHRTP53EGLN1EGLN3LMNA
SCHEMBL29210964 0.81 TSHR (0.38) TSHRTP53EGLN1EGLN3LMNA
SCHEMBL453090 0.80 TSHR (0.42) TSHRTP53EGLN1EGLN3LMNA
SCHEMBL7821073 0.80 TSHR (0.42) TSHRTP53EGLN1EGLN3LMNA
SCHEMBL9187017 0.80 TSHR (0.42) TSHRTP53EGLN1EGLN3LMNA
SCHEMBL28564049 0.79 THRB (0.46) TSHRTP53EGLN1EGLN3LMNA
SCHEMBL32685382 0.79 THRB (0.46) TSHRTP53EGLN1EGLN3LMNA
SCHEMBL8830567 0.79 THRB (0.46) TSHRTP53EGLN1EGLN3LMNA
SCHEMBL16178793 0.79 THRB (0.46) TSHRTP53EGLN1EGLN3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10562834-B2 Process for preparing substituted crotonic acids INTERVET INC. (US) 2020-02-18 US disclosed
US-10562834-B2 Process for preparing substituted crotonic acids INTERVET INC. (US) 2020-02-18 US disclosed
EP-2831042-B1 HETEROARYL COMPOUNDS WITH A-CYCLIC BRIDGING UNIT INTERVET INT BV (NL) 2019-07-31 EP disclosed
US-20190135725-A1 PROCESS FOR PREPARING SUBSTITUTED CROTONIC ACIDS INTERVET INC. (US) 2019-05-09 US disclosed
US-20190135725-A1 PROCESS FOR PREPARING SUBSTITUTED CROTONIC ACIDS INTERVET INC. (US) 2019-05-09 US disclosed
US-20170121265-A1 IMPROVED PROCESS FOR PREPARING SUBSTITUTED CROTONIC ACIDS INTERVET INC. (US) 2017-05-04 US disclosed
US-20170121265-A1 IMPROVED PROCESS FOR PREPARING SUBSTITUTED CROTONIC ACIDS INTERVET INC. (US) 2017-05-04 US disclosed
EP-3145904-A1 IMPROVED PROCESS FOR PREPARING SUBSTITUTED CROTONIC ACIDS Intervet International B.V. (NL) 2017-03-29 EP disclosed
EP-2621923-B1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES INTERVET INT BV (NL) 2017-03-29 EP disclosed
EP-2621903-B1 N-HETEROARYL COMPOUNDS INTERVET INT BV (NL) 2017-03-01 EP disclosed
US-9321724-B2 Heteroaryl compounds with A-cyclic bridging unit INTERVET INC. (US) 2016-04-26 US disclosed
WO-2015177179-A1 IMPROVED PROCESS FOR PREPARING SUBSTITUTED CROTONIC ACIDS INTERVET INTERNATIONAL B.V. (NL) 2015-11-26 WO disclosed
WO-2015177179-A1 IMPROVED PROCESS FOR PREPARING SUBSTITUTED CROTONIC ACIDS INTERVET INTERNATIONAL B.V. (NL) 2015-11-26 WO disclosed
US-20150057279-A1 HETEROARYL COMPOUNDS WITH A-CYCLIC BRIDGING UNIT INTERVET INC. 2015-02-26 US disclosed
US-8883791-B2 N-heteroaryl compounds with cyclic bridging unit for the treatment of parasitic diseases INTERVET INC. (US) 2014-11-11 US disclosed
US-8877934-B2 N-heteroaryl compounds INTERVET INC. (US) 2014-11-04 US disclosed
US-20130203768-A1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES INTERVET INC. 2013-08-08 US disclosed
EP-2621903-A1 N-HETEROARYL COMPOUNDS Intervet International B.V. (NL) 2013-08-07 EP disclosed
US-20130196993-A1 N-HETEROARYL COMPOUNDS INTERVET INC. 2013-08-01 US disclosed
WO-2012041873-A1 N-HETEROARYL COMPOUNDS INTERVET INTERNATIONAL B.V. (NL) 2012-04-05 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 (6 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-20190135725-A1 PROCESS FOR PREPARING SUBSTITUTED CROTONIC ACIDS CROCC, CMA1, HSD11B1 TSHR 518/4885TP53 4420/4885EGLN1 1086/4885
US-10562834-B2 Process for preparing substituted crotonic acids CROCC, CMA1, HSD11B1 TSHR 518/4885TP53 4420/4885EGLN1 1086/4885
US-20150057279-A1 HETEROARYL COMPOUNDS WITH A-CYCLIC BRIDGING UNIT AADAC, PIGS, MTCL3 TSHR 4575/4885TP53 4835/4885EGLN1 888/4885
US-20130196993-A1 N-HETEROARYL COMPOUNDS HNMT, SQLE, PIGO TSHR 4440/4885TP53 4822/4885EGLN1 696/4885
US-20130203768-A1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES PIGO, HNMT, PIGS TSHR 4181/4885TP53 4840/4885EGLN1 772/4885
US-20170121265-A1 IMPROVED PROCESS FOR PREPARING SUBSTITUTED CROTONIC ACIDS CROCC, CMA1, HSD11B1 TSHR 661/4885TP53 4561/4885EGLN1 1276/4885

“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.