SCHEMBL194437

SCHEMBL194437

CC(C(=O)O)c1ccccc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 6/20 0.52
AKR1C2 P52895 6/20 0.52
ACP3 P15309 1/20 0.50
CNR2 P34972 1/20 0.49
PTGS2 P35354 4/20 0.45
CXCL8 P10145 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43
MMP14 P50281 1/20 0.43
MMP16 P51512 1/20 0.43
POLQ O75417 1/20 0.43
P2RX7 Q99572 1/20 0.42
PTGS1 P23219 2/20 0.42
PPARG P37231 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
SCHEMBL30428161 1.00 AKR1C3 (0.52) AKR1C3AKR1C2ACP3CNR2PTGS2
SCHEMBL27691016 0.87 ACP3 (0.47) AKR1C3AKR1C2ACP3CNR2P2RX7
SCHEMBL28969367 0.84 ACP3 (0.45) AKR1C3AKR1C2ACP3CNR2P2RX7
SCHEMBL4778256 0.84 ACP3 (0.45) AKR1C3AKR1C2ACP3CNR2CXCL8
SCHEMBL28187819 0.83 MMP2 (0.47) AKR1C3AKR1C2PTGS2CXCL8MMP1
SCHEMBL14661316 0.83 P2RX7 (0.61) AKR1C3AKR1C2CNR2PTGS2CXCL8
Hydrochloric Acid SCHEMBL6559016 0.82 ACP3 (0.44) AKR1C3AKR1C2ACP3CNR2CXCL8
SCHEMBL28821897 0.81 ACP3 (0.53) AKR1C3AKR1C2ACP3CNR2POLQ
SCHEMBL3130946 0.81 ACP3 (0.53) AKR1C3AKR1C2ACP3CNR2POLQ
SCHEMBL753073 0.81 POLQ (0.47) AKR1C3AKR1C2ACP3CNR2POLQ

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-119486565-A Perovskite precursor solution, perovskite solar cell, preparation method and photovoltaic module 天合光能股份有限公司 2025-02-18 CN disclosed
CN-117347515-A Method for measuring residual quantity of cyflumetofen and three metabolites thereof in fresh tea leaves, black tea and tea soup 中国农业科学院茶叶研究所 2024-01-05 CN disclosed
CN-116209433-A Small molecule albumin binding agents 俄勒冈健康科学大学 2023-06-02 CN disclosed
CN-109422749-B Pyrimidinedione derivative for inhibiting monocarboxylic acid transporter 重庆医药工业研究院有限责任公司 2023-01-24 CN disclosed
CN-112830879-A Preparation method of cinacalcet hydrochloride 北京泰德制药股份有限公司 2021-05-25 CN disclosed
WO-2019171277-A1 CYLCOALKENYL DERIVATIVES USEFUL AS AGONISTS OF THE GPR120 AND /OR GPR40 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2019-09-12 WO disclosed
WO-2019171278-A1 HETEROCYLCOALKENYL DERIVATIVES USEFUL AS AGONISTS OF THE GPR120 AND / OR GPR40 JANSSEN PHARMACEUTICA NV (BE) 2019-09-12 WO disclosed
EP-2736888-A2 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-06-04 EP disclosed
WO-2013014204-A2 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2013-01-31 WO disclosed
US-20120071322-A1 Substituted Pyridopyrazines with a Herbicidal Action BASF SE (DE) 2012-03-22 US disclosed
US-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors EISAI R&D MANAGEMENT CO., LTD., (JP) 2012-03-01 US disclosed
EP-2060570-B1 Azabicyclo[3.1.0] hexane derivatives useful as modulators of dopamine D3 receptors GLAXO GROUP LTD (GB) 2012-01-25 EP disclosed
EP-2401276-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS Eisai R&D Management Co., Ltd. (JP) 2012-01-04 EP disclosed
US-20110251063-A1 HETEROCYCLIC DIKETONE DERIVATIVES WITH HERBICIDAL ACTION BASF SE (DE) 2011-10-13 US disclosed
WO-2011064188-A1 INSECTICIDAL METHODS USING NITROGEN-CONTAINING HETEROAROMATIC COMPOUNDS BASF SE (DE) 2011-06-03 WO disclosed
EP-1917013-B1 USE OF AZABICYCLO HEXANE DERIVATIVES GLAXO GROUP LTD (GB) 2011-03-09 EP disclosed
US-20090036461-A1 Use of Azabicyclo Hexane Derivatives GLAXO GROUP LIMITED (GB) 2009-02-05 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-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors BACE1, APP, PSEN1 AKR1C3 841/4885AKR1C2 1587/4885ACP3 4278/4885
US-20090036461-A1 Use of Azabicyclo Hexane Derivatives ADH1C, PKD1, HTT AKR1C3 839/4885AKR1C2 1077/4885ACP3 1396/4885
US-20120071322-A1 Substituted Pyridopyrazines with a Herbicidal Action PLPBP, PNPO, PFAS AKR1C3 1107/4885AKR1C2 1355/4885ACP3 3114/4885
US-20110251063-A1 HETEROCYCLIC DIKETONE DERIVATIVES WITH HERBICIDAL ACTION DDT, KHK, HK1 AKR1C3 268/4885AKR1C2 102/4885ACP3 4316/4885

“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.