SCHEMBL16339341

SCHEMBL16339341

CCCCCc1ccc(C#N)c(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 17/20 0.58
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PGR P06401 1/20 0.44

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
SCHEMBL16952424 0.83 RXRA (0.48) ARRXRARXRBRXRGPGR
SCHEMBL16954842 0.83 AR (0.51) ARRXRARXRBRXRGPGR
SCHEMBL12297740 0.82 AR (0.56) ARRXRARXRBRXRGPGR
SCHEMBL28826019 0.80 HSD17B10 (0.53) ARTSHRHSD17B10
SCHEMBL16961615 0.80 AR (0.54) ARRXRARXRBRXRGPGR
SCHEMBL27714544 0.80 RXRA (0.50) ARRXRARXRBRXRGPGR
SCHEMBL9240972 0.80 HSD17B10 (0.49) TSHRHSD17B10
SCHEMBL16959706 0.80 RXRA (0.50) ARRXRARXRBRXRGPGR
SCHEMBL17818519 0.79 HSD17B10 (0.56) TSHRHSD17B10
SCHEMBL6513061 0.79 HSD17B10 (0.56) TSHRHSD17B10

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
US-20170196854-A1 USE OF ANTHELMINTIC AGENTS AGAINST DIROFILARIA IMMITIS INTERVET INC. (US) 2017-07-13 US disclosed
US-9695193-B2 Inhibitors of Plasmodium falciparum equilibrative nucleoside transporter type I as anti-parasitic compounds THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-07-04 US disclosed
US-20160122362-A1 INHIBITORS OF PLASMODIUM FALCIPARUM EQUILIBRATIVE NUCLEOSIDE TRANSPORTER TYPE I AS ANTI-PARASITIC COMPOUNDS UNIV COLUMBIA (US) 2016-05-05 US disclosed
WO-2014210319-A2 INHIBITORS OF PLASMODIUM FALCIPARUM EQUILIBRATIVE NUCLEOSIDE TRANSPORTER TYPE 1 AS ANTI-PARASITIC COMPOUNDS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-12-31 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-20170196854-A1 USE OF ANTHELMINTIC AGENTS AGAINST DIROFILARIA IMMITIS MPO, DHODH, DHX35 AR 4521/4885RXRA 3799/4885RXRB 4213/4885
US-20160122362-A1 INHIBITORS OF PLASMODIUM FALCIPARUM EQUILIBRATIVE NUCLEOSIDE TRANSPORTER TYPE I AS ANTI-PARASITIC COMPOUNDS SLC29A1, SLC29A2, SLC28A1 AR 4851/4885RXRA 4523/4885RXRB 4462/4885

“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.