SCHEMBL21814531

SCHEMBL21814531

Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Oc2cc[c]cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.49
HSD17B10 Q99714 3/20 0.49
TSHR P16473 2/20 0.49
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MMP2 P08253 3/20 0.45
MMP9 P14780 3/20 0.45
MMP1 P03956 2/20 0.45
MMP3 P08254 2/20 0.45
MMP7 P09237 2/20 0.45
MMP13 P45452 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
CA2 P00918 3/20 0.44
CA1 P00915 2/20 0.44
CA9 Q16790 3/20 0.43
CA12 O43570 2/20 0.43

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
SCHEMBL21814588 1.00 HTT (0.49) HTTHSD17B10TSHRALDH1A1HPGD
SCHEMBL19404003 0.90 HTT (0.54) HTTHSD17B10TSHRALDH1A1HPGD
SCHEMBL10780607 0.86 ADAMTS4 (0.54) HTTHSD17B10TSHRALDH1A1HPGD
SCHEMBL24211175 0.85 HSD17B10 (0.50) HTTHSD17B10TSHRALDH1A1HPGD
SCHEMBL9764157 0.84 HTT (0.49) HTTHSD17B10TSHRALDH1A1HPGD
SCHEMBL9706817 0.81 HTT (0.65) HTTHSD17B10TSHRALDH1A1HPGD
SCHEMBL7776370 0.81 HTT (0.65) HTTHSD17B10TSHRALDH1A1HPGD
SCHEMBL7889040 0.80 TSHR (0.58) HTTHSD17B10TSHRALDH1A1HPGD
SCHEMBL25269775 0.80 TSHR (0.58) HTTHSD17B10TSHRALDH1A1HPGD
SCHEMBL7138463 0.80 TSHR (0.58) HTTHSD17B10TSHRALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240060977-A1 USE OF BIOMARKERS FOR PREDICTING THE CLINICAL AND/OR TREATMENT OUTCOME OF A HUMAN SUBJECT ALPSPITZ BIOSCIENCE GMBH (DE) 2024-02-22 US disclosed
EP-4275043-A1 USE OF BIOMARKERS FOR PREDICTING THE CLINICAL AND/OR TREATMENT OUTCOME OF A HUMAN SUBJECT Alpspitz Bioscience GmbH (DE) 2023-11-15 EP disclosed
WO-2022148866-A1 USE OF BIOMARKERS FOR PREDICTING THE CLINICAL AND/OR TREATMENT OUTCOME OF A HUMAN SUBJECT ALPSPITZ BIOSCIENCE GMBH (DE) 2022-07-14 WO disclosed
US-20220017942-A1 COMPOSITIONS AND METHODS FOR DETERMINING THE PRESENCE OF ACTIVE LEUKOCYTE CELLS USING AN ELECTROCHEMICAL ASSAY CLEU DIAGNOSTICS, LLC 2022-01-20 US disclosed
US-20210371898-A1 COMPOSITIONS AND METHODS FOR DETERMINING THE PRESENCE OF ACTIVE LEUKOCYTE CELLS USING AN ELECTROCHEMICAL ASSAY CLEU DIAGNOSTICS, LLC 2021-12-02 US disclosed
EP-3856710-A1 COMPOSITIONS AND METHODS FOR DETERMINING THE PRESENCE OF ACTIVE LEUKOCYTE CELLS USING AN ELECTROCHEMICAL ASSAY Parvizi Surgical Innovation, LLC (US) 2021-08-04 EP disclosed
US-20210171467-A1 REDOX SUBSTRATES FOR LEUKOCYTE ESTERASE THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-06-10 US disclosed
WO-2020069176-A1 COMPOSITIONS AND METHODS FOR DETERMINING THE PRESENCE OF ACTIVE LEUKOCYTE CELLS USING AN ELECTROCHEMICAL ASSAY PARVIZI SURGICAL INNOVATION, LLC (US) 2020-04-02 WO 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 (3 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-20220017942-A1 COMPOSITIONS AND METHODS FOR DETERMINING THE PRESENCE OF ACTIVE LEUKOCYTE CELLS USING AN ELECTROCHEMICAL ASSAY MPO, LPO, EPX HTT 1518/4885HSD17B10 1028/4885TSHR 4238/4885
US-20210371898-A1 COMPOSITIONS AND METHODS FOR DETERMINING THE PRESENCE OF ACTIVE LEUKOCYTE CELLS USING AN ELECTROCHEMICAL ASSAY MPO, LPO, EPX HTT 1518/4885HSD17B10 1028/4885TSHR 4238/4885
US-20210171467-A1 REDOX SUBSTRATES FOR LEUKOCYTE ESTERASE LPO, MPO, EPX HTT 4133/4885HSD17B10 123/4885TSHR 3940/4885

“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.