SCHEMBL1144151

SCHEMBL1144151

Cc1c(O)cc(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 2/20 0.44
CA3 P07451 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
ACHE P22303 1/20 0.43
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
SELL P14151 1/20 0.38
SELP P16109 1/20 0.38
SELE P16581 1/20 0.38
CYP3A4 P08684 1/20 0.37
ERN1 O75460 1/20 0.37
HDAC4 P56524 1/20 0.36
PTGS1 P23219 2/20 0.35
PTGS2 P35354 2/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.35

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
SCHEMBL9743130 0.86 ACHE (0.58) CA9CA3CA6CA5ACA14
SCHEMBL67360 0.80 RAPGEF4 (0.42) CA9ACHECA12CA1ERN1
SCHEMBL14087814 0.79 ACHE (0.43) CA9CA3CA6CA5ACA14
SCHEMBL17864552 0.79 ACHE (0.65) CA9CA3CA6CA5ACA14
SCHEMBL22461071 0.79 ACHE (0.43) CA9CA3CA6CA5ACA14
Boric Acid SCHEMBL17967033 0.76 HDAC1 (0.41) CA9CA12CA1ERN1HDAC4
SCHEMBL22690036 0.75 ACHE (0.40) CA9CA3CA6CA5ACA14
SCHEMBL6833196 0.75 TSHR (0.43) CA9CA3CA6CA5ACA14
SCHEMBL21765278 0.75 TTR (0.40) CA9CA3CA6CA5ACA14
SCHEMBL16760369 0.75 ACHE (0.40) CA9CA3CA6CA5ACA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303586-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-09-28 US disclosed
WO-2023154282-A1 COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS THERAS, INC. (US) 2023-08-17 WO disclosed
EP-3193851-B1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2020-10-21 EP disclosed
EP-3055290-B1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2019-10-02 EP disclosed
US-10150752-B2 Substituted triazole derivatives as oxytocin antagonists IXCHELSIS LIMITED (GB) 2018-12-11 US disclosed
US-9840516-B2 Substituted quinazolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2017-12-12 US disclosed
US-20170114040-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2017-04-27 US disclosed
US-20170114040-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2017-04-27 US disclosed
US-20170114040-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2017-04-27 US disclosed
US-9394278-B2 Substituted triazole derivatives as oxytocin antagonists IXCHELSIS LIMITED (GB) 2016-07-19 US disclosed
US-7557131-B2 Substituted triazole derivatives as oxytocin antagonists PFIZER INC (US) 2009-07-07 US disclosed
US-7557131-B2 Substituted triazole derivatives as oxytocin antagonists PFIZER INC (US) 2009-07-07 US disclosed
EP-1841758-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS Pfizer Limited (GB) 2007-10-10 EP disclosed
WO-2006077496-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2006-07-27 WO disclosed
US-20060160786-A1 Substituted triazole derivatives as oxytocin antagonists PFIZER INC 2006-07-20 US disclosed
US-20060160786-A1 Substituted triazole derivatives as oxytocin antagonists PFIZER INC 2006-07-20 US disclosed
US-20060160786-A1 Substituted triazole derivatives as oxytocin antagonists PFIZER INC 2006-07-20 US disclosed
EP-0567848-B1 Process for the alpha-chlorination of arylethern BAYER AG (DE) 1996-07-17 EP disclosed
US-5440051-A Halogenating by metering into reaction vessel at the same time as chlorine in presence of solvent or absence of solvent to form a chemical intermediates for fungicides or insecticides BAYER AKTIENGESELLSCHAFT (DE) 1995-08-08 US disclosed
EP-0567848-A1 Process for the alpha-chlorination of arylethern BAYER AG (DE) 1993-11-03 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 (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-20170114040-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS OXTR, AVPR1B, GNRHR CA9 4605/4885CA3 3745/4885CA6 4800/4885
US-20060160786-A1 Substituted triazole derivatives as oxytocin antagonists OXTR, AVPR1B, GNRHR CA9 4605/4885CA3 3745/4885CA6 4800/4885
US-10150752-B2 Substituted triazole derivatives as oxytocin antagonists OXTR, AVPR1B, GNRHR CA9 4605/4885CA3 3745/4885CA6 4800/4885
US-20230303586-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CA9 1880/4885CA3 2848/4885CA6 3180/4885

“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.