SCHEMBL20678482

SCHEMBL20678482

CCCCCCCCCCCS(=O)(=O)Br

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.56
CA2 P00918 6/20 0.50
CES1 P23141 5/20 0.45
CES2 O00748 2/20 0.45
TSHR P16473 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL5076456 1.00 FAAH (0.56) FAAHCA2CES1CES2TSHR
SCHEMBL5075604 1.00 FAAH (0.56) FAAHCA2CES1CES2TSHR
SCHEMBL11726074 1.00 FAAH (0.56) FAAHCA2CES1CES2TSHR
SCHEMBL5075587 1.00 FAAH (0.56) FAAHCA2CES1CES2TSHR
SCHEMBL5075665 0.97
SCHEMBL6113420 0.88
Fluoride SCHEMBL27813601 0.86
Heptane SCHEMBL27515810 0.82 TSHR (0.57) FAAHCA2TSHRTHRB
Octane SCHEMBL27560403 0.82 TSHR (0.57) FAAHCA2TSHRTHRB
SCHEMBL15755226 0.82 FAAH (0.30) FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11066351-B2 Organic compound, three-dimensional organic framework formed by using organic compound, separation sieve and optical layer, which comprise organic framework, and optical device comprising optical layer as optical amplification layer IUCF-HYU (INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY) (KR) 2021-07-20 US disclosed
US-20190031586-A1 ORGANIC COMPOUND, THREE-DIMENSIONAL ORGANIC FRAMEWORK FORMED BY USING ORGANIC COMPOUND, SEPARATION SIEVE AND OPTICAL LAYER, WHICH COMPRISE ORGANIC FRAMEWORK, AND OPTICAL DEVICE COMPRISING OPTICAL LAYER AS OPTICAL AMPLIFICATION LAYER INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY (KR) 2019-01-31 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-11066351-B2 Organic compound, three-dimensional organic framework formed by using organic compound, separation sieve and optical layer, which comprise organic framework, and optical device comprising optical layer as optical amplification layer OR10J3, POF1B, ORC3 FAAH 4183/4885CA2 1420/4885CES1 4734/4885
US-20190031586-A1 ORGANIC COMPOUND, THREE-DIMENSIONAL ORGANIC FRAMEWORK FORMED BY USING ORGANIC COMPOUND, SEPARATION SIEVE AND OPTICAL LAYER, WHICH COMPRISE ORGANIC FRAMEWORK, AND OPTICAL DEVICE COMPRISING OPTICAL LAYER AS OPTICAL AMPLIFICATION LAYER OR10J3, POF1B, ORC3 FAAH 4183/4885CA2 1420/4885CES1 4734/4885

“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.