SCHEMBL12471815

SCHEMBL12471815

COc1ccc2cc(C(=O)C(F)(F)F)ccc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.64
▸ GABBR2 O75899 1/20 0.55
▸ GABBR1 Q9UBS5 1/20 0.55
▸ CYP1A2 P05177 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ PLAU P00749 2/20 0.50
▸ PLG P00747 1/20 0.47
▸ PLAT P00750 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ PTGS1 P23219 2/20 0.46
▸ AKR1C3 P42330 2/20 0.46
▸ AKR1C2 P52895 2/20 0.46
▸ HPGDS O60760 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46

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
SCHEMBL4137247 0.84 KDM4E (0.66) KDM4EGABBR2GABBR1CYP1A2ALDH1A1
SCHEMBL1398393 0.83 CES1 (0.59) KDM4EMEN1KMT2AGAAMAPT
SCHEMBL4153130 0.81 KDM4E (0.62) KDM4EGABBR2GABBR1CYP1A2ALDH1A1
SCHEMBL2500212 0.81 CES1 (0.65) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL30214744 0.81 CES1 (0.65) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL10899760 0.80 KDM4E (0.60) KDM4EGABBR2GABBR1CYP1A2ALDH1A1
SCHEMBL11810869 0.80 KDM4E (0.75) KDM4ECYP1A2ALDH1A1HPGDCYP2C19
SCHEMBL2695583 0.79 KDM4E (0.58) KDM4EGABBR2GABBR1CYP1A2ALDH1A1
SCHEMBL2695581 0.79 KDM4E (0.58) KDM4EGABBR2GABBR1CYP1A2ALDH1A1
SCHEMBL8132 0.78 KDM4E (1.00) KDM4ECYP1A2ALDH1A1HPGDCYP2C19

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10894040-B2 S1P modulating agents BIOGEN MA INC. (US) 2021-01-19 — — US disclosed
US-10894040-B2 S1P modulating agents BIOGEN MA INC. (US) 2021-01-19 — — US disclosed
EP-3660010-A1 S1P MODULATING AGENTS Biogen MA Inc. (US) 2020-06-03 — — EP disclosed
US-20200038385-A1 S1P MODULATING AGENTS BIOGEN IDEC MA INC. 2020-02-06 — — US disclosed
US-20200038385-A1 S1P MODULATING AGENTS BIOGEN IDEC MA INC. 2020-02-06 — — US disclosed
EP-3150590-B1 S1P MODULATING AGENTS BIOGEN MA INC (US) 2019-10-16 — — EP disclosed
EP-3150590-B1 S1P MODULATING AGENTS BIOGEN MA INC (US) 2019-10-16 — — EP disclosed
US-10406144-B2 SIP modulating agents BIOGEN MA INC. (US) 2019-09-10 — — US disclosed
US-10406144-B2 SIP modulating agents BIOGEN MA INC. (US) 2019-09-10 — — US disclosed
US-20180369215-A1 S1P MODULATING AGENTS BIOGEN IDEC MA INC. 2018-12-27 — — US disclosed
US-20160263093-A1 S1P modulating agents BIOGEN MA INC. 2016-09-15 — — US disclosed
EP-2672823-B1 S1P MODULATING AGENTS BIOGEN MA INC (US) 2016-08-24 — — EP disclosed
US-9340527-B2 S1P modulating agents BIOGEN MA INC. (US) 2016-05-17 — — US disclosed
US-9340527-B2 S1P modulating agents BIOGEN MA INC. (US) 2016-05-17 — — US disclosed
US-9340527-B2 S1P modulating agents BIOGEN MA INC. (US) 2016-05-17 — — US disclosed
US-20140371209-A1 S1P Modulating Agents BIOGEN MA INC. 2014-12-18 — — US disclosed
US-20140371209-A1 S1P Modulating Agents BIOGEN MA INC. 2014-12-18 — — US disclosed
US-20140371209-A1 S1P Modulating Agents BIOGEN MA INC. 2014-12-18 — — US disclosed
EP-2672823-A1 S1P MODULATING AGENTS Biogen Idec MA Inc. (US) 2013-12-18 — — EP disclosed
WO-2012109108-A1 S1P MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2012-08-16 — — 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 (6 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-20200038385-A1 S1P MODULATING AGENTS S1PR2, S1PR1, S1PR3 KDM4E 3037/4885GABBR2 1107/4885GABBR1 1642/4885
US-20140371209-A1 S1P Modulating Agents S1PR2, S1PR1, S1PR3 KDM4E 3804/4885GABBR2 521/4885GABBR1 788/4885
US-10406144-B2 SIP modulating agents S1PR2, S1PR1, S1PR3 KDM4E 3487/4885GABBR2 732/4885GABBR1 1003/4885
US-10894040-B2 S1P modulating agents S1PR2, S1PR1, S1PR3 KDM4E 2656/4885GABBR2 1374/4885GABBR1 2053/4885
US-20180369215-A1 S1P MODULATING AGENTS S1PR2, S1PR1, S1PR3 KDM4E 3037/4885GABBR2 1107/4885GABBR1 1642/4885
US-20160263093-A1 S1P modulating agents S1PR2, S1PR1, S1PR3 KDM4E 3037/4885GABBR2 1107/4885GABBR1 1642/4885

“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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