SCHEMBL18151606

SCHEMBL18151606

Nc1ccc(C(O)(CC2CCCC2)C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.41
KIF11 P52732 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
HSD11B1 P28845 3/20 0.33
RORC P51449 3/20 0.33
RORA P35398 1/20 0.33
RORB Q92753 1/20 0.33
MLYCD O95822 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
IDO1 P14902 2/20 0.33
KCNJ11 Q14654 1/20 0.32
NR1I2 O75469 1/20 0.32
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32
LDLR P01130 1/20 0.32
GCK P35557 1/20 0.32
MAOB P27338 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
SCHEMBL18151840 0.98 NFE2L2 (0.43) NFE2L2KIF11NR1H2NR1H3HSD11B1
SCHEMBL16799506 0.72 AR (0.47) KIF11NR1H2NR1H3RORCMLYCD
SCHEMBL16799948 0.71 AR (0.51) NFE2L2KIF11NR1H2NR1H3RORC
SCHEMBL16799610 0.69 NR1H2 (0.46) KIF11NR1H2NR1H3MLYCDNR1I2
SCHEMBL18151473 0.69 AR (0.43) KIF11NR1H2NR1H3HSD11B1MLYCD
SCHEMBL9838902 0.69 NFE2L2 (0.45) NFE2L2KIF11HSD11B1LDLRMAOB
SCHEMBL16799842 0.68 AR (0.43) KIF11NR1H2NR1H3HSD11B1MLYCD
SCHEMBL18151518 0.68 RORC (0.47) KIF11NR1H2NR1H3RORCMLYCD
SCHEMBL9838727 0.68 NFE2L2 (0.38) NFE2L2HSD11B1MLYCDHDAC6LDLR
SCHEMBL20423878 0.68 NFE2L2 (0.55) NFE2L2KIF11RORCNR1I2LDLR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922337-B ROR gamma modulators 领先制药控股公司 2021-07-02 CN disclosed
EP-3319942-B1 ROR-GAMMA MODULATORS LEAD PHARMA B V (NL) 2020-03-11 EP disclosed
CN-105980353-B ROR gamma modulators 领先制药控股公司 2019-06-14 CN disclosed
US-20190040012-A1 ROR GAMMA (RORY) MODULATORS LEAD PHARMA HOLDING B.V. (NL) 2019-02-07 US disclosed
EP-3077372-B1 ROR GAMMA (RORY) MODULATORS LEAD PHARMA HOLDING BV (NL) 2019-02-06 EP disclosed
EP-3077372-B1 ROR GAMMA (RORY) MODULATORS LEAD PHARMA HOLDING BV (NL) 2019-02-06 EP 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
US-9738600-B2 ROR gamma (RORγ) modulators LEAD PHARMA CEL MODELS IP B.V. (NL) 2017-08-22 US disclosed
US-9738600-B2 ROR gamma (RORγ) modulators LEAD PHARMA CEL MODELS IP B.V. (NL) 2017-08-22 US disclosed
US-9738600-B2 ROR gamma (RORγ) modulators LEAD PHARMA CEL MODELS IP B.V. (NL) 2017-08-22 US disclosed
WO-2016193468-A1 ROR GAMMA (RORY) MODULATORS LEAD PHARMA CEL MODELS IP B.V. (NL) 2016-12-08 WO disclosed
WO-2016193468-A1 ROR GAMMA (RORY) MODULATORS LEAD PHARMA CEL MODELS IP B.V. (NL) 2016-12-08 WO disclosed
EP-3101005-A1 ROR GAMMA (RORY) MODULATORS Lead Pharma Cel Models IP B.V. (NL) 2016-12-07 EP disclosed
EP-3101005-A1 ROR GAMMA (RORY) MODULATORS Lead Pharma Cel Models IP B.V. (NL) 2016-12-07 EP disclosed
US-20160304448-A1 ROR GAMMA (RORy) MODULATORS LEAD PHARMA CEL MODELS IP B.V. (NL) 2016-10-20 US disclosed
US-20160304448-A1 ROR GAMMA (RORy) MODULATORS LEAD PHARMA CEL MODELS IP B.V. (NL) 2016-10-20 US disclosed
US-20160304448-A1 ROR GAMMA (RORy) MODULATORS LEAD PHARMA CEL MODELS IP B.V. (NL) 2016-10-20 US disclosed
CN-105980353-A ROR gamma modulators 领先制药CEL模型知识产权公司 2016-09-28 CN 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 NFE2L2 3042/4885KIF11 1675/4885NR1H2 24/4885
US-20160304448-A1 ROR GAMMA (RORy) MODULATORS RORC, RORA, RORB NFE2L2 2560/4885KIF11 570/4885NR1H2 18/4885
US-20180141909-A1 ROR GAMMA (RORY) MODULATORS RORC, RORA, RORB NFE2L2 3242/4885KIF11 1775/4885NR1H2 28/4885

“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.