SCHEMBL2099348

SCHEMBL2099348

CC(C)(C)N(Cc1ccc(Br)cn1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
GBA1 P04062 2/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 1/20 0.36
MCHR1 Q99705 4/20 0.36
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34

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
SCHEMBL2924565 0.85 ALDH1A1 (0.39) ALDH1A1KDM4EGBA1KMT2AMEN1
SCHEMBL22366438 0.84 MEN1 (0.39) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL1284719 0.81 MEN1 (0.39) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL19739531 0.80 ALDH1A1 (0.44) ALDH1A1KDM4EGBA1KMT2ALMNA
SCHEMBL12541475 0.78 ALDH1A1 (0.42) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL1684422 0.77 MEN1 (0.55) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL26986731 0.76 ALDH1A1 (0.41) ALDH1A1KDM4EGBA1KMT2AMEN1
SCHEMBL22366419 0.75 CYP1A2 (0.49) ALDH1A1KDM4EKMT2AMEN1HTT
SCHEMBL69067 0.74 MEN1 (0.42) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL18546474 0.74 SIRT6 (0.39) ALDH1A1KMT2AMEN1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115362145-B External nucleotide pyrophosphatase/phosphodiesterase 1 (ENPP 1) inhibitors and methods of use thereof 斯汀格瑞治疗股份有限公司 2025-05-02 CN disclosed
CN-115362145-A Ecto-nucleotide pyrophosphatase/phosphodiesterase 1 (ENPP 1) inhibitors and methods of use thereof 斯汀格瑞治疗股份有限公司 2022-11-18 CN 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
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-20180222860-A1 MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2018-08-09 US disclosed
US-9845308-B2 Isoindoline inhibitors of ROR-gamma VITAE PHARMACEUTICALS, INC. (US) 2017-12-19 US disclosed
US-20160122318-A1 ISOINDOLINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2016-05-05 US disclosed
US-9266886-B2 Dihydropyrrolopyridine inhibitors of ROR-gamma VITAE PHARMACEUTICALS, INC. (US) 2016-02-23 US disclosed
US-20150218160-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2015-08-06 US disclosed
US-8163928-B2 Heteroaryl substituted benzothiazoles ASTRAZENECA AB (SE) 2012-04-24 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 (7 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 ALDH1A1 407/4885KDM4E 2016/4885GBA1 3972/4885
US-20200062707-A1 MODULATORS OF ROR-GAMMA RORB, RORC, RORA ALDH1A1 479/4885KDM4E 3259/4885GBA1 2770/4885
US-20160122318-A1 ISOINDOLINE INHIBITORS OF ROR-GAMMA RORC, RORB, RORA ALDH1A1 243/4885KDM4E 3541/4885GBA1 2469/4885
US-20180222860-A1 MODULATORS OF ROR-GAMMA RORB, RORC, RORA ALDH1A1 479/4885KDM4E 3259/4885GBA1 2770/4885
US-10829448-B2 Substituted benzoimidazoles as modulators of ROR-γ RORC, RORB, RORA ALDH1A1 374/4885KDM4E 1874/4885GBA1 3737/4885
US-20210300869-A1 MODULATORS OF ROR-GAMMA RORC, RORB, RORA ALDH1A1 367/4885KDM4E 2694/4885GBA1 4038/4885
US-20150218160-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA RORC, RORB, RORA ALDH1A1 137/4885KDM4E 3093/4885GBA1 2962/4885

“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.