SCHEMBL1401550

SCHEMBL1401550

O=C(O)c1ccc(F)c(CO)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.55
LMNA P02545 2/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
ACE2 Q9BYF1 3/20 0.45
PTGER1 P34995 1/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 2/20 0.42
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
TP53 P04637 1/20 0.42
KDM4E B2RXH2 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
CA4 P22748 1/20 0.42

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
SCHEMBL7887028 0.85 MRGPRX4 (0.49) MRGPRX4LMNAMAPK1HTTRAB9A
SCHEMBL3684044 0.84 MRGPRX4 (0.51) MRGPRX4LMNAMAPK1HTTRAB9A
SCHEMBL7513592 0.84 EPHX2 (0.51) MRGPRX4LMNAMAPK1HTTRAB9A
SCHEMBL29759273 0.84 MRGPRX4 (0.51) MRGPRX4LMNAMAPK1HTTRAB9A
SCHEMBL3506824 0.82 MAOB (0.49) MRGPRX4MAPK1PKMTSHRCES2
SCHEMBL4259943 0.82 MRGPRX4 (0.50) MRGPRX4LMNAMAPK1HTTRAB9A
SCHEMBL1237689 0.81 ACE2 (0.53) MAPK1ACE2PKMTSHRTP53
SCHEMBL29654186 0.81 ACE2 (0.53) MAPK1ACE2PKMTSHRTP53
Hydrochloric Acid SCHEMBL28099330 0.81 MRGPRX4 (0.49) MRGPRX4LMNAMAPK1HTTRAB9A
SCHEMBL7882557 0.79 MRGPRX4 (0.48) MRGPRX4LMNAMAPK1HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10844044-B2 WDR5 inhibitors and modulators VANDERBILT UNIVERSITY (US) 2020-11-24 US disclosed
US-20200102288-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2020-04-02 US disclosed
US-9617212-B2 Isoindolin-1-ones as macrophage migration inhibitory factor (MIF) inhibitors CONTROLLED CHEMICALS, INC. (US) 2017-04-11 US disclosed
US-20150175540-A1 ISOINDOLIN-1-ONES AS MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) INHIBITORS CONTROLLED CHEMICALS, INC. (US) 2015-06-25 US disclosed
EP-1646608-B1 TRICYCLIC DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM JE IL PHARMACEUTICAL CO LTD (KR) 2011-03-02 EP disclosed
EP-1646608-B1 TRICYCLIC DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM JE IL PHARMACEUTICAL CO LTD (KR) 2011-03-02 EP disclosed
CN-100393698-C Tricyclic derivatives or pharmaceutically acceptable salts thereof, their preparation and pharmaceutical compositions containing them JE IL PHARMACEUTICAL CO LTD (KR) 2008-06-11 CN disclosed
US-20070179143-A1 Tricyclic derivatives or pharmaceutically acceptable salts thereof, their preparations and pharmaceutical compositions containing them JE IL PHARMACEUTICAL CO., LTD. (KR) 2007-08-02 US disclosed
US-20070179143-A1 Tricyclic derivatives or pharmaceutically acceptable salts thereof, their preparations and pharmaceutical compositions containing them JE IL PHARMACEUTICAL CO., LTD. (KR) 2007-08-02 US disclosed
US-20070179143-A1 Tricyclic derivatives or pharmaceutically acceptable salts thereof, their preparations and pharmaceutical compositions containing them JE IL PHARMACEUTICAL CO., LTD. (KR) 2007-08-02 US disclosed
EP-1646608-A4 TRICYCLIC DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM JE IL PHARMACEUTICAL CO LTD (KR) 2006-11-22 EP disclosed
CN-1826316-A Tricyclic derivatives or pharmaceutically acceptable salts thereof, their preparation and pharmaceutical compositions containing them JE IL PHARMACEUTICAL CO LTD (KR) 2006-08-30 CN disclosed
EP-1646608-A1 TRICYCLIC DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM JE IL Pharmaceutical Co., Ltd. (KR) 2006-04-19 EP disclosed
WO-2004113281-A1 TRICYCLIC DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM JE IL PHARMACEUTICAL CO., LTD. (KR) 2004-12-29 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-20200102288-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 MRGPRX4 2347/4885LMNA 2317/4885MAPK1 2694/4885
US-20070179143-A1 Tricyclic derivatives or pharmaceutically acceptable salts thereof, their preparations and pharmaceutical compositions containing them VEGFA, TUBB3, TUBA3C MRGPRX4 3953/4885LMNA 3823/4885MAPK1 3212/4885
US-10844044-B2 WDR5 inhibitors and modulators WDR5, WDR1, WDR3 MRGPRX4 2266/4885LMNA 2328/4885MAPK1 2555/4885
US-20150175540-A1 ISOINDOLIN-1-ONES AS MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) INHIBITORS MIF, MACF1, MYADM MRGPRX4 310/4885LMNA 4349/4885MAPK1 652/4885

“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.