SCHEMBL17730056

SCHEMBL17730056

COc1ccc(C2CCC(CC(=O)C(F)(F)F)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ MAPT P10636 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ EPHX2 P34913 1/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ USP30 Q70CQ3 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ LMNA P02545 1/20 0.40
▸ CHRM4 P08173 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ORAI1 Q96D31 1/20 0.40
▸ CTSK P43235 1/20 0.39
▸ USP5 P45974 1/20 0.39
▸ CCR2 P41597 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39

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
SCHEMBL20838730 0.82 DGAT1 (0.60) DGAT1ALDH1A1MAPTSMN1; SMN2EPHX2
SCHEMBL17730114 0.82 DGAT1 (0.60) DGAT1ALDH1A1MAPTSMN1; SMN2EPHX2
SCHEMBL17327303 0.81 DGAT1 (0.51) DGAT1ALDH1A1MAPTSMN1; SMN2EPHX2
SCHEMBL18763690 0.81 DGAT1 (0.51) DGAT1ALDH1A1MAPTSMN1; SMN2EPHX2
SCHEMBL17731492 0.81 DGAT1 (0.52) DGAT1ALDH1A1MAPTSMN1; SMN2EPHX2
SCHEMBL17729966 0.78 ALDH1A1 (0.48) DGAT1ALDH1A1MAPTSMN1; SMN2EPHX2
SCHEMBL17737051 0.77 EPHX2 (0.73) DGAT1ALDH1A1MAPTSMN1; SMN2EPHX2
SCHEMBL20838672 0.77 EPHX2 (0.73) DGAT1ALDH1A1MAPTSMN1; SMN2EPHX2
SCHEMBL17737372 0.77 EPHX2 (0.73) DGAT1ALDH1A1MAPTSMN1; SMN2EPHX2
SCHEMBL17731422 0.77 EPHX2 (0.52) DGAT1MAPTEPHX2CYP2C9CCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106999450-B Immunomodulator 弗莱塞斯生物科学公司 2021-07-09 — — CN disclosed
EP-3215142-B1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES INC (US) 2021-03-24 — — EP disclosed
US-10206893-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2019-02-19 — — US disclosed
US-20180325889-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. 2018-11-15 — — US disclosed
EP-3215142-A2 IMMUNOREGULATORY AGENTS Flexus Biosciences, Inc. (US) 2017-09-13 — — EP disclosed
US-20170143649-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES INC (US) 2017-05-25 — — US disclosed
US-9598422-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2017-03-21 — — US disclosed
US-20160137653-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. 2016-05-19 — — US disclosed
WO-2016073774-A2 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. (US) 2016-05-12 — — 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 (4 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-20160137653-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT DGAT1 854/4885ALDH1A1 219/4885MAPT 2758/4885
US-10206893-B2 Immunoregulatory agents IDO1, IDO2, INMT DGAT1 854/4885ALDH1A1 219/4885MAPT 2758/4885
US-20170143649-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT DGAT1 854/4885ALDH1A1 219/4885MAPT 2758/4885
US-20180325889-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT DGAT1 854/4885ALDH1A1 219/4885MAPT 2758/4885

“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.

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