SCHEMBL18440586

SCHEMBL18440586

O=C(O)c1ccc2[nH]c(Cc3ccc(C(F)(F)F)cc3)cc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.55
F2 P00734 4/20 0.51
KDM5A P29375 1/20 0.50
KDM4C Q9H3R0 1/20 0.50
KDM5B Q9UGL1 1/20 0.50
PTPN1 P18031 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
PLD2 O14939 1/20 0.42
PLD1 Q13393 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
P2RY14 Q15391 2/20 0.41
MAPK1 P28482 1/20 0.41
MAP2K4 P45985 1/20 0.41
MAPKAPK3 Q16644 1/20 0.41
MAPK6 Q16659 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL12096910 0.92 SRD5A2 (0.55) SRD5A2F2KDM5AKDM4CKDM5B
SCHEMBL19360375 0.85 KDM4E (0.46) SRD5A2F2KDM5AKDM4CKDM5B
SCHEMBL977626 0.84 F2 (0.70) SRD5A2F2KDM5AKDM4CKDM5B
SCHEMBL18440581 0.83 HRH3 (0.48) F2HRH3SMN1; SMN2MAPK1
SCHEMBL18440834 0.83 F2 (0.61) F2HRH3P2RY14
SCHEMBL20465145 0.83 F2 (0.54) SRD5A2F2HRH3SMN1; SMN2
SCHEMBL6987109 0.83 F2 (0.54) F2KDM4CKDM5BHRH3SMN1; SMN2
SCHEMBL27950254 0.81 SRD5A2 (0.47) SRD5A2P2RY14MAPK1MAP2K4MAPKAPK3
SCHEMBL12096643 0.81 KLKB1 (0.44) F2KDM5AKDM4CKDM5BPLD2
SCHEMBL18477010 0.79 LOXL2 (0.53) F2KDM5AKDM4CKDM5B

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 15 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-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
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-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 SRD5A2 154/4885F2 4032/4885KDM5A 2299/4885
US-20200062707-A1 MODULATORS OF ROR-GAMMA RORB, RORC, RORA SRD5A2 144/4885F2 4296/4885KDM5A 3694/4885
US-20180222860-A1 MODULATORS OF ROR-GAMMA RORB, RORC, RORA SRD5A2 144/4885F2 4296/4885KDM5A 3694/4885
US-10829448-B2 Substituted benzoimidazoles as modulators of ROR-γ RORC, RORB, RORA SRD5A2 152/4885F2 4237/4885KDM5A 2475/4885
US-20210300869-A1 MODULATORS OF ROR-GAMMA RORC, RORB, RORA SRD5A2 111/4885F2 4123/4885KDM5A 2921/4885

“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.