SCHEMBL18440902

SCHEMBL18440902

CCOC(=O)c1ccc2c(c1)cc(C(=O)c1ccc(C(F)(F)F)cn1)n2CC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.43
MAOB P27338 1/20 0.43
NPC1 O15118 4/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 5/20 0.41
NLRP3 Q96P20 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RORC P51449 2/20 0.41
ALDH1A1 P00352 2/20 0.41
PPARG P37231 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
HPGD P15428 2/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 2/20 0.38

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
SCHEMBL18440690 0.88 RORC (0.45) KMT2ARORCALDH1A1PPARGKDM4E
SCHEMBL20465188 0.88 RAB9A (0.47) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL19360616 0.77 KDM4E (0.48) RAB9ANPC1MAPTSMN1; SMN2RORC
SCHEMBL20465191 0.76 KMT2A (0.46) RAB9AMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL18440914 0.75 RORC (0.52) RAB9AMAOBNPC1MEN1KMT2A
SCHEMBL18440848 0.74 RORC (0.75) RORC
SCHEMBL18440845 0.74 RORC (0.75) RORC
SCHEMBL19360617 0.74 SRD5A2 (0.49) KMT2ARORCALDH1A1PPARGKDM4E
SCHEMBL5440798 0.73 POLB (0.57) RAB9AMAOBNPC1MEN1KMT2A
SCHEMBL29664542 0.73 POLB (0.57) RAB9AMAOBNPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210300869-A1 MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICAL, LLC 2021-09-30 US disclosed
US-10829448-B2 Substituted benzoimidazoles as modulators of ROR-γ VITAE PHARMACEUTICALS, LLC (US) 2020-11-10 US disclosed
EP-3331876-B1 MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS LLC (US) 2020-10-07 EP disclosed
EP-3331876-B1 MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS LLC (US) 2020-10-07 EP disclosed
US-20200062707-A1 MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS, INC. 2020-02-27 US disclosed
US-10301261-B2 Substituted indoles as modulators of ROR-gamma VITAE PHARMACEUTICALS, LLC (US) 2019-05-28 US disclosed
US-10301261-B2 Substituted indoles as modulators of ROR-gamma VITAE PHARMACEUTICALS, LLC (US) 2019-05-28 US disclosed
US-20180222860-A1 MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2018-08-09 US disclosed
US-20180222860-A1 MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2018-08-09 US disclosed
EP-3331876-A1 MODULATORS OF ROR-GAMMA Vitae Pharmaceuticals, Inc. (US) 2018-06-13 EP disclosed
WO-2017024018-A1 MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS, INC. (US) 2017-02-09 WO disclosed
WO-2017024018-A1 MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS, INC. (US) 2017-02-09 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 (5 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-10301261-B2 Substituted indoles as modulators of ROR-gamma RORB, RORC, RORA RAB9A 872/4885MAOB 1423/4885NPC1 1833/4885
US-20200062707-A1 MODULATORS OF ROR-GAMMA RORB, RORC, RORA RAB9A 714/4885MAOB 4006/4885NPC1 940/4885
US-20180222860-A1 MODULATORS OF ROR-GAMMA RORB, RORC, RORA RAB9A 714/4885MAOB 4006/4885NPC1 940/4885
US-10829448-B2 Substituted benzoimidazoles as modulators of ROR-γ RORC, RORB, RORA RAB9A 1646/4885MAOB 3689/4885NPC1 3213/4885
US-20210300869-A1 MODULATORS OF ROR-GAMMA RORC, RORB, RORA RAB9A 1438/4885MAOB 3339/4885NPC1 3818/4885

“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.