SCHEMBL11200328

SCHEMBL11200328

CC(C=O)Cc1ccc(Br)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.61
TSHR P16473 1/20 0.61
MME P08473 5/20 0.42
ACACB O00763 1/20 0.41
EPHX1 P07099 2/20 0.40
KMT2A Q03164 2/20 0.39
SIGMAR1 Q99720 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PYCR1 P32322 2/20 0.37

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
SCHEMBL225582 0.83 TSHR (0.66) TP53TSHREPHX1KMT2AMEN1
SCHEMBL31412811 0.83 TSHR (0.66) TP53TSHREPHX1KMT2AMEN1
SCHEMBL9162199 0.81 TP53 (0.44) TP53TSHRMMEACACBEPHX1
SCHEMBL31412800 0.81 TP53 (0.63) TP53TSHRACACBKMT2AMEN1
SCHEMBL5872655 0.81 TSHR (0.63) TP53TSHRACACBKMT2AMEN1
SCHEMBL227153 0.81 TP53 (0.63) TP53TSHRACACBKMT2AMEN1
SCHEMBL17550074 0.79 TSHR (0.61) TP53TSHRNPC1RAB9A
SCHEMBL204959 0.79 TP53 (0.61) TP53TSHRKMT2A
SCHEMBL1148 0.79 TSHR (0.61) TP53TSHRACACBEPHX1KMT2A
SCHEMBL13889195 0.79 TP53 (0.61) TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111201212-B Synthesis method of feloxicib and intermediate thereof 四川青木制药有限公司 2022-07-26 CN disclosed
CN-107686471-B Synthesis method of feloxicib and intermediate thereof 成都苑东生物制药股份有限公司 2020-07-03 CN disclosed
CN-111201212-A Synthesis method of feloxicib and intermediate thereof 四川青木制药有限公司 2020-05-26 CN disclosed
EP-3082805-B1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INST FOR DRUG DISCOVERY LLC (US) 2020-02-05 EP disclosed
EP-3082805-B1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INST FOR DRUG DISCOVERY LLC (US) 2020-02-05 EP disclosed
US-20170152258-A9 Substituted Pyridopyrazines as Syk Inhibitors HUTCHISON MEDIPHARMA LIMITED (CN) 2017-06-01 US disclosed
CN-106659715-A substituted aminotriazoles and methods of use thereof 药物发现研究所 2017-05-10 CN disclosed
EP-3082805-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME The Institute For Drug Delivery (US) 2016-10-26 EP disclosed
US-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INSTITUTE FOR DRUG DISCOVERY, LLC 2016-10-13 US disclosed
US-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INSTITUTE FOR DRUG DISCOVERY, LLC 2016-10-13 US disclosed
US-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INSTITUTE FOR DRUG DISCOVERY, LLC 2016-10-13 US disclosed
US-20160002221-A1 Substituted Pyridopyrazines as Syk Inhibitors HUTCHISON MEDIPHARMA LTD (CN) 2016-01-07 US disclosed
WO-2015095701-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME THE INSTITUTE FOR DRUG DELIVERY (US) 2015-06-25 WO disclosed
WO-2015095701-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME THE INSTITUTE FOR DRUG DELIVERY (US) 2015-06-25 WO disclosed
US-4415572-A CARDIOTONIC AND INOTROPIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1983-11-15 US disclosed
EP-0009865-A1 Process for the stereoselective synthesis of the E isomer of aryl alkyl oximes RHONE-POULENC INC. (US) 1980-04-16 EP disclosed
US-4158015-A Process for the stereoselective synthesis of the E isomer of aryl alkyl oximes MOBIL OIL CORPORATION (US) 1979-06-12 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 (3 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-20160002221-A1 Substituted Pyridopyrazines as Syk Inhibitors SYK, BTK, LYN TP53 356/4885TSHR 1742/4885MME 3194/4885
US-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME CMA1, CHIA, AADAC TP53 3200/4885TSHR 3816/4885MME 70/4885
US-20170152258-A9 Substituted Pyridopyrazines as Syk Inhibitors SYK, BTK, LYN TP53 356/4885TSHR 1742/4885MME 3194/4885

“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.