SCHEMBL18281148

SCHEMBL18281148

O=C(Cc1ccc(SCC2CC2)nn1)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 14/20 0.43
MLYCD O95822 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
KCNH2 Q12809 3/20 0.41
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
CYP2D6 P10635 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL18281163 0.80 RORC (0.53) RORCMLYCDSMN1; SMN2KCNH2CYP2D6
SCHEMBL18281160 0.78 RORC (0.49) RORCMLYCDSMN1; SMN2JAK2JAK1
SCHEMBL18275198 0.75 RORC (0.56) RORCKCNH2CYP2D6
SCHEMBL18275170 0.73 RORC (0.51) RORCMLYCDSMN1; SMN2JAK2JAK1
SCHEMBL18275272 0.72 MLYCD (0.50) RORCMLYCDSMN1; SMN2KCNH2LMNA
SCHEMBL20258321 0.70 RORC (0.47) RORCMLYCDSMN1; SMN2LMNAHTT
SCHEMBL18275270 0.70 MLYCD (0.50) RORCMLYCDSMN1; SMN2KCNH2LMNA
SCHEMBL16799959 0.69 RORC (0.76) RORCKCNH2CYP2D6
SCHEMBL18281158 0.68 RORC (0.55) RORCKCNH2CYP2D6
SCHEMBL18281161 0.68 RORC (0.58) RORCMLYCDSMN1; SMN2KCNH2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3319942-B1 ROR-GAMMA MODULATORS LEAD PHARMA B V (NL) 2020-03-11 EP disclosed
US-20190040012-A1 ROR GAMMA (RORY) MODULATORS LEAD PHARMA HOLDING B.V. (NL) 2019-02-07 US disclosed
US-10118895-B2 ROR gamma (RORγ) modulators LEAD PHARMA HOLDING B.V. (NL) 2018-11-06 US disclosed
US-20180141909-A1 ROR GAMMA (RORY) MODULATORS LEAD PHARMA HOLDING B.V. (NL) 2018-05-24 US disclosed
EP-3319942-A1 ROR GAMMA (RORY) MODULATORS Lead Pharma Holding B.V. (NL) 2018-05-16 EP disclosed
WO-2016193468-A1 ROR GAMMA (RORY) MODULATORS LEAD PHARMA CEL MODELS IP B.V. (NL) 2016-12-08 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 (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-20190040012-A1 ROR GAMMA (RORY) MODULATORS RORC, RORA, RORB RORC 1/4885MLYCD 4734/4885SMN1; SMN2 2671/4885
US-20180141909-A1 ROR GAMMA (RORY) MODULATORS RORC, RORA, RORB RORC 1/4885MLYCD 4633/4885SMN1; SMN2 3503/4885
US-10118895-B2 ROR gamma (RORγ) modulators RORC, RORA, RORB RORC 1/4885MLYCD 4680/4885SMN1; SMN2 3687/4885

“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.