SCHEMBL2108463

SCHEMBL2108463

O=C(NC(=S)N[C@@]1(c2ccccc2F)CC[C@H](OCc2ccccc2)C[C@H]1CO)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.40
HDAC4 P56524 2/20 0.38
ALDH1A1 P00352 8/20 0.36
MITF O75030 1/20 0.36
ALOX12 P18054 4/20 0.36
ATM Q13315 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35
LMNA P02545 3/20 0.35
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
RECQL P46063 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GLA P06280 1/20 0.35
MAPT P10636 1/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL2631676 1.00 EPHX1 (0.40) EPHX1HDAC4ALDH1A1MITFALOX12
SCHEMBL2620062 1.00 EPHX1 (0.40) EPHX1HDAC4ALDH1A1MITFALOX12
SCHEMBL2108461 1.00 EPHX1 (0.40) EPHX1HDAC4ALDH1A1MITFALOX12
SCHEMBL2108661 1.00 EPHX1 (0.40) EPHX1HDAC4ALDH1A1MITFALOX12
SCHEMBL13061890 0.91 HDAC4 (0.39) HDAC4RAB9ANPC1SMN1; SMN2CYP2C9
SCHEMBL13009653 0.91 HDAC4 (0.39) HDAC4RAB9ANPC1SMN1; SMN2CYP2C9
SCHEMBL2620045 0.89 EPHX1 (0.42) EPHX1ALDH1A1ALOX12RAB9ANPC1
SCHEMBL2109607 0.89 EPHX1 (0.42) EPHX1ALDH1A1ALOX12RAB9ANPC1
SCHEMBL10280534 0.89 EPHX1 (0.42) EPHX1ALDH1A1ALOX12RAB9ANPC1
SCHEMBL2109591 0.87 EPHX1 (0.41) EPHX1HDAC4ALDH1A1MITFALOX12

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
EP-2233474-B1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2015-08-05 EP disclosed
US-8946210-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-02-03 US disclosed
US-8946210-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-02-03 US disclosed
US-8946211-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-02-03 US disclosed
US-8946211-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-02-03 US disclosed
US-20130203741-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-08 US disclosed
US-20130203741-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-08 US disclosed
US-20120094984-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-19 US disclosed
US-8158620-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-17 US disclosed
US-20100317850-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-16 US disclosed
US-20100317850-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-16 US disclosed
EP-2233474-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2010-09-29 EP disclosed
US-20090209755-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-20 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 (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-20130203741-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 EPHX1 1106/4885HDAC4 2401/4885ALDH1A1 3053/4885
US-20090209755-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 EPHX1 1106/4885HDAC4 2401/4885ALDH1A1 3053/4885
US-20120094984-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 EPHX1 1106/4885HDAC4 2401/4885ALDH1A1 3053/4885
US-20100317850-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, APP, BACE2 EPHX1 2197/4885HDAC4 2053/4885ALDH1A1 2468/4885

“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.