SCHEMBL20286607

SCHEMBL20286607

COc1ccccc1-c1cnc(NC(=O)Cc2ccc(S(=O)(=O)NC3CC3)cc2)cc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 1/20 0.51
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
RORC P51449 3/20 0.42
TP53 P04637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CTSD P07339 1/20 0.41
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL18275232 0.90 RORC (0.55) WNT3ARORCCYP2C9CYP2C19
SCHEMBL20286605 0.87 WNT3A (0.52) WNT3ARORCHPGDHSD17B10
SCHEMBL20286606 0.85 RORC (0.59) RORCTP53
SCHEMBL20286608 0.84 WNT3A (0.47) WNT3AMEN1KMT2ARORCTP53
SCHEMBL20286609 0.79 RORC (0.60) RORCTP53CYP2C9CYP2C19
SCHEMBL18275357 0.77 RORC (0.61) WNT3ARORCCYP2C9CYP2C19
SCHEMBL18275314 0.75 RORC (0.75) RORCCYP2C9CYP2C19
SCHEMBL18275212 0.75 RORC (0.53) RORCCYP2C9CYP2C19
SCHEMBL20286610 0.72 RORC (0.48) WNT3ARORCALDH1A1CYP2C9CYP2C19
SCHEMBL20286601 0.71 RORC (0.65) RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180170863-A1 ROR GAMMA (RORY) MODULATORS LEAD PHARMA HOLDING B.V. (NL) 2018-06-21 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-20180170863-A1 ROR GAMMA (RORY) MODULATORS RORB, RORA, RORC WNT3A 777/4885MEN1 2572/4885KMT2A 824/4885

“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.