SCHEMBL84477

SCHEMBL84477

CC(C)c1ccccc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.50
ACP3 P15309 1/20 0.46
GABRA1 P14867 2/20 0.44
GABRB2 P47870 2/20 0.44
AR P10275 1/20 0.43
TRPA1 O75762 1/20 0.43
HSD11B1 P28845 4/20 0.42
CNR2 P34972 1/20 0.41
CYP3A4 P08684 2/20 0.41
FAAH O00519 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41

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
SCHEMBL2737361 0.84 CYP3A4 (0.43) P2RX7ACP3GABRA1GABRB2AR
SCHEMBL20314857 0.84 CYP3A4 (0.43) P2RX7ACP3GABRA1GABRB2AR
SCHEMBL24910232 0.83 TRPA1 (0.52) P2RX7ARTRPA1HSD11B1CYP3A4
SCHEMBL2588201 0.82 P2RX7 (0.47) P2RX7ACP3HSD11B1CNR2ALDH1A1
SCHEMBL2224459 0.82 P2RX7 (0.47) P2RX7ACP3HSD11B1CNR2ALDH1A1
SCHEMBL1258401 0.82 P2RX7 (0.47) P2RX7ACP3HSD11B1CNR2CYP3A4
SCHEMBL7330369 0.82 P2RX7 (0.47) P2RX7ACP3HSD11B1CNR2ALDH1A1
SCHEMBL13168657 0.82 ACP3 (0.47) P2RX7ACP3GABRA1GABRB2HSD11B1
SCHEMBL16105868 0.82 GABRA1 (0.41) P2RX7ACP3GABRA1GABRB2AR
SCHEMBL23172133 0.82 P2RX7 (0.47) P2RX7ACP3HSD11B1CNR2ALDH1A1

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 881 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240224783-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-07-04 US disclosed
US-20240207300-A1 COMBINATION THERAPIES INCLUDING MYT1 INHIBITORS SINAI HEALTH SYSTEM (CA) 2024-06-27 US disclosed
WO-2024092116-A1 COMBINATION OF TEAD INHIBITORS AND EGFR INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2024-05-02 WO disclosed
WO-2024059096-A2 C5AR1 ANTAGONISTS AND USES THEREOF VANQUA BIO, INC. (US) 2024-03-21 WO disclosed
WO-2024044493-A2 TREATMENT OF REPEAT EXPANSION DISEASE THE JOHNS HOPKINS UNIVERSITY (US) 2024-02-29 WO disclosed
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
US-11858942-B2 Triazolotriazine derivatives as A2A receptor antagonists ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2024-01-02 US disclosed
US-11864458-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2024-01-02 US disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 WO disclosed
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. 2007-03-01 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-7173032-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-02-06 US disclosed
US-7173032-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-02-06 US disclosed
EP-0084128-B1 PROCESS FOR THE PREPARATION OF ALKYLBENZENES SUBSTITUTED BY RADICALS CONTAINING FLUORINE BAYER AG (DE) 1987-01-21 EP disclosed
EP-0084648-B1 PROCESS FOR THE ISOMERIZATION OF ALKYLBENZOTRIFLUORIDES BAYER AG (DE) 1984-11-07 EP disclosed
US-4436941-A Process for the isomerization of alkylbenzotrifluorides BAYER AKTIENGESELLSCHAFT (DE) 1984-03-13 US disclosed
EP-0084648-A1 Process for the isomerization of alkylbenzotrifluorides BAYER AG (DE) 1983-08-03 EP 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 (7 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-11858942-B2 Triazolotriazine derivatives as A2A receptor antagonists ADORA2A, ADORA1, ADORA3 P2RX7 54/4885ACP3 4396/4885GABRA1 175/4885
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof BRAF, RAF1, ARAF P2RX7 4869/4885ACP3 2885/4885GABRA1 3660/4885
US-11864458-B2 Organic electroluminescent materials and devices RAP1A, L1CAM, SOD1 P2RX7 2280/4885ACP3 1848/4885GABRA1 2038/4885
US-20240224783-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, ICOSLG P2RX7 524/4885ACP3 4468/4885GABRA1 1816/4885
US-20240207300-A1 COMBINATION THERAPIES INCLUDING MYT1 INHIBITORS WEE2, WEE1, KAT2A P2RX7 4771/4885ACP3 2630/4885GABRA1 4685/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 P2RX7 280/4885ACP3 1998/4885GABRA1 389/4885
US-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS P2RX7 3221/4885ACP3 3510/4885GABRA1 3975/4885

“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.