SCHEMBL22954102

SCHEMBL22954102

O=S(=O)(c1ccccc1)c1ccccc1OC(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 7/20 0.61
▸ CNR2 P34972 1/20 0.48
▸ NAMPT P43490 3/20 0.47
▸ PTGDR2 Q9Y5Y4 2/20 0.47
▸ ABCC9 O60706 2/20 0.46
▸ ABCC8 Q09428 2/20 0.46
▸ KCNJ11 Q14654 2/20 0.46
▸ KCNJ8 Q15842 2/20 0.46
▸ ALPL P05186 1/20 0.44
▸ SLC40A1 Q9NP59 1/20 0.43
▸ SLC22A12 Q96S37 1/20 0.43
▸ HSD11B1 P28845 1/20 0.42
▸ KMT2A Q03164 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
SCHEMBL23519060 0.83 HTR6 (0.54) HTR6NAMPTPTGDR2ABCC9ABCC8
SCHEMBL13728197 0.83 NAMPT (0.49) HTR6CNR2NAMPTPTGDR2ABCC9
SCHEMBL27955163 0.83 ABCC9 (0.54) HTR6CNR2NAMPTPTGDR2ABCC9
SCHEMBL13728179 0.83 NAMPT (0.48) HTR6CNR2NAMPTPTGDR2ABCC9
SCHEMBL6972429 0.79 ALPL (0.47) HTR6CNR2ALPLSLC40A1SLC22A12
SCHEMBL3528957 0.79 ELANE (0.60) HTR6CNR2ALPLSLC40A1SLC22A12
SCHEMBL24950118 0.79 HTR6 (0.40) HTR6CNR2PTGDR2ALPLSLC40A1
SCHEMBL645001 0.78 ALPL (0.46) HTR6NAMPTALPLSLC40A1SLC22A12
SCHEMBL2646108 0.78 ALPL (0.46) HTR6CNR2ALPLSLC40A1SLC22A12
SCHEMBL6039108 0.78 SLC22A12 (0.48) HTR6CNR2ALPLSLC40A1SLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760701-B2 Difluoromethoxylation and trifluoromethoxylation compositions and methods for synthesizing same THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YROK (US) 2023-09-19 — — US disclosed
US-11760701-B2 Difluoromethoxylation and trifluoromethoxylation compositions and methods for synthesizing same THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YROK (US) 2023-09-19 — — US disclosed
US-20210032181-A1 DIFLUOROMETHOXYLATION AND TRIFLUOROMETHOXYLATION COMPOSITIONS AND METHODS FOR SYNTHESIZING SAME THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2021-02-04 — — 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 (2 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-20210032181-A1 DIFLUOROMETHOXYLATION AND TRIFLUOROMETHOXYLATION COMPOSITIONS AND METHODS FOR SYNTHESIZING SAME AFF2, AFF4, AFF1 HTR6 2660/4885CNR2 3246/4885NAMPT 2050/4885
US-11760701-B2 Difluoromethoxylation and trifluoromethoxylation compositions and methods for synthesizing same AFF2, AFF4, AFF1 HTR6 2660/4885CNR2 3246/4885NAMPT 2050/4885

“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.

Send feedback