SCHEMBL17037372

SCHEMBL17037372

CCc1cc2c(cc1F)OC(F)(F)O2

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.36
CTNNB1 P35222 2/20 0.35
WNT3A P56704 2/20 0.35
STIM1 Q13586 2/20 0.32
ORAI1 Q96D31 2/20 0.32
GPR3 P46089 1/20 0.32
SCN9A Q15858 1/20 0.32
NOTUM Q6P988 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CG P48736 1/20 0.31
KIF11 P52732 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
RECQL P46063 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL23461477 0.78 CYP1A2 (0.35) P2RX7CTNNB1WNT3AGPR3NOTUM
SCHEMBL23462244 0.76 P2RX7 (0.41) P2RX7CTNNB1WNT3AKIF11
SCHEMBL29975759 0.76 P2RX7 (0.41) P2RX7CTNNB1WNT3AKIF11
SCHEMBL24793420 0.74 P2RX7 (0.40) P2RX7CTNNB1WNT3AKIF11
SCHEMBL13367746 0.72 STIM1 (0.40) P2RX7CTNNB1WNT3ASTIM1ORAI1
SCHEMBL19489957 0.72 DPP4 (0.39)
SCHEMBL17244773 0.68 STIM1 (0.39) P2RX7CTNNB1WNT3ASTIM1ORAI1
SCHEMBL16044114 0.68 GPR3 (0.34) CTNNB1WNT3AGPR3NOTUMPIK3CA
SCHEMBL17543892 0.68 AHR (0.35) CTNNB1WNT3ASTIM1ORAI1GPR3
SCHEMBL13341163 0.68 GPR55 (0.33) GPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023240267-A2 COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SIONNA THERAPEUTICS (US) 2023-12-14 WO disclosed
WO-2023240267-A2 COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SIONNA THERAPEUTICS (US) 2023-12-14 WO disclosed
US-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF DOW AGROSCIENCES LLC (US) 2023-01-19 US disclosed
US-20170298084-A1 AMIDE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-10-19 US disclosed
US-20170260219-A1 PHOSPHONATE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-09-14 US disclosed
US-20160362433-A1 ETHER COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2016-12-15 US disclosed
US-20160362432-A1 PHOSPHONATE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2016-12-15 US disclosed
US-20150239868-A1 Alkyne Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed
US-20150239919-A1 Carbamate, Ester, and Ketone Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed
US-20150239893-A1 Amide Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed
US-20150239920-A1 Ether Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 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 (9 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-20160362433-A1 ETHER COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, C9, TFPI P2RX7 4056/4885CTNNB1 4466/4885WNT3A 4298/4885
US-20150239868-A1 Alkyne Compounds for Treatment of Complement Mediated Disorders CFD, C9, TFPI P2RX7 4519/4885CTNNB1 4648/4885WNT3A 4200/4885
US-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF PDXK, DPYD, DDT P2RX7 25/4885CTNNB1 3421/4885WNT3A 2973/4885
US-20160362432-A1 PHOSPHONATE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, CFH, TFPI P2RX7 3624/4885CTNNB1 4331/4885WNT3A 4051/4885
US-20170298084-A1 AMIDE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, TFPI, C9 P2RX7 4534/4885CTNNB1 4856/4885WNT3A 4762/4885
US-20170260219-A1 PHOSPHONATE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, TFPI, C1QBP P2RX7 3495/4885CTNNB1 4575/4885WNT3A 4149/4885
US-20150239920-A1 Ether Compounds for Treatment of Complement Mediated Disorders TFPI, CFD, C9 P2RX7 4294/4885CTNNB1 4590/4885WNT3A 4251/4885
US-20150239893-A1 Amide Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, C9 P2RX7 4534/4885CTNNB1 4856/4885WNT3A 4762/4885
US-20150239919-A1 Carbamate, Ester, and Ketone Compounds for Treatment of Complement Mediated Disorders CFD, C9, CFH P2RX7 4624/4885CTNNB1 4798/4885WNT3A 4750/4885

“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.