SCHEMBL4814458

SCHEMBL4814458

COc1ccc2c(c1)C1Nc3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3C(C)(C)C1CS2

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.37
RORA P35398 2/20 0.34
NR1H2 P55055 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CCR6 P51684 2/20 0.31
KCNH2 Q12809 1/20 0.31
PGR P06401 2/20 0.30
RORB Q92753 1/20 0.30
MLYCD O95822 1/20 0.30
SNCA P37840 1/20 0.30

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
SCHEMBL4611076 0.92 KIF11 (0.35) RORCNR1H2CCR6KCNH2
SCHEMBL4818085 0.92 KIF11 (0.35) RORCNR1H2CCR6KCNH2
SCHEMBL4610350 0.87
SCHEMBL4556457 0.87
SCHEMBL4556198 0.87
SCHEMBL4610575 0.85 RORC (0.33) RORCRORANR1H2
SCHEMBL4565731 0.81 HTR2B (0.37) RORCRORANR1H2MLYCD
SCHEMBL4814715 0.81 RORC (0.31) RORCRORAPGRRORB
SCHEMBL4817561 0.81 RORC (0.31) RORCRORAPGRRORB
SCHEMBL4609283 0.81 RORC (0.31) RORCRORAPGRRORB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABELMAN MATTHEW 2008-11-27 US disclosed
US-7432276-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-10-07 US disclosed
US-7423045-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-09-09 US disclosed
US-20070191379-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-08-16 US disclosed
US-20070010544-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-01-11 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 (3 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-20070191379-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP RORC 1561/4885RORA 1656/4885NR1H2 6/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP RORC 1561/4885RORA 1656/4885NR1H2 6/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP RORC 1561/4885RORA 1656/4885NR1H2 6/4885

“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.