SCHEMBL15401995

SCHEMBL15401995

CC1(O)CC(C(=O)O)(c2ccc(Br)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.39
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TSHR P16473 1/20 0.36
HDAC1 Q13547 3/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
FPR2 P25090 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL15401996 1.00 AKR1C1 (0.39) AKR1C1KDM4EGAAMAPTMAPK1
SCHEMBL11481050 0.87 AKR1C1 (0.40) AKR1C1KDM4EGAAMAPTMAPK1
SCHEMBL19690120 0.80 HCAR3 (0.45) AKR1C1GAAALDH1A1
SCHEMBL19280330 0.80 HCAR3 (0.45) AKR1C1GAAALDH1A1
SCHEMBL19701802 0.80 HCAR3 (0.45) AKR1C1GAAALDH1A1
SCHEMBL19280315 0.80 HCAR3 (0.45) AKR1C1GAAALDH1A1
SCHEMBL20898616 0.80 AKR1C1 (0.40) AKR1C1MEN1KMT2ATSHRHDAC1
SCHEMBL16699326 0.79 KMT2A (0.37) AKR1C1KDM4EGAAMAPTMAPK1
SCHEMBL2221 0.79 AKR1C1 (0.55) AKR1C1MEN1KMT2ATSHRHDAC1
SCHEMBL27412387 0.78 HDAC4 (0.37) AKR1C1KDM4EGAAMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3694502-B1 NOVEL SUBSTITUTED CYCLOBUTYLBENZENE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-08-02 EP disclosed
US-11319283-B2 Substituted cyclobutylbenzene compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors MERCK SHARP & DOHME CORP. (US) 2022-05-03 US disclosed
US-20200277252-A1 NOVEL SUBSTITUTED CYCLOBUTYLBENZENE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-09-03 US disclosed
EP-2868660-B1 ANTITUMOR EFFECT POTENTIATOR COMPRISING AN IMIDAZOOXAZINE COMPOUND TAIHO PHARMACEUTICAL CO LTD (JP) 2017-12-27 EP disclosed
US-9375434-B2 Antitumor effect potentiator composed of imidazooxazine compound TAIHO PHARMACEUTICAL CO., LTD. (JP) 2016-06-28 US disclosed
US-9289431-B2 2016-03-22 US disclosed
EP-2698372-B1 NOVEL IMIDAZO-OXAZINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2016-02-03 EP disclosed
US-20150164909-A1 ANTITUMOR EFFECT POTENTIATOR COMPOSED OF IMIDAZOOXAZINE COMPOUND TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-06-18 US disclosed
EP-2868660-A1 ANTITUMOR EFFECT POTENTIATOR COMPOSED OF IMIDAZOOXAZINE COMPOUND Taiho Pharmaceutical Co., Ltd. (JP) 2015-05-06 EP disclosed
US-8772283-B2 Imidazo-oxazine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-07-08 US disclosed
EP-2698372-A1 NOVEL IMIDAZO-OXAZINE COMPOUND OR SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2014-02-19 EP disclosed
US-20140005185-A1 NOVEL IMIDAZO-OXAZINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-01-02 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-20150164909-A1 ANTITUMOR EFFECT POTENTIATOR COMPOSED OF IMIDAZOOXAZINE COMPOUND H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS, TPD52L2 AKR1C1 543/4885KDM4E 2979/4885GAA 4800/4885
US-11319283-B2 Substituted cyclobutylbenzene compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, KYNU AKR1C1 1340/4885KDM4E 1157/4885GAA 175/4885
US-20140005185-A1 NOVEL IMIDAZO-OXAZINE COMPOUND OR SALT THEREOF IKZF3, IKZF2, IKZF1 AKR1C1 1906/4885KDM4E 1197/4885GAA 3901/4885
US-20200277252-A1 NOVEL SUBSTITUTED CYCLOBUTYLBENZENE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS IDO1, IDO2, KYNU AKR1C1 1122/4885KDM4E 1190/4885GAA 150/4885

“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.