SCHEMBL3498593

SCHEMBL3498593

C=CC(=O)NCC(C)CSC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
TGM2 P21980 1/20 0.31

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
SCHEMBL18755013 0.82 TSHR (0.54) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL27686070 0.78 TSHR (0.45) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL29531590 0.77 TSHR (0.48) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL799424 0.77 TSHR (0.48) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL8525778 0.76 TSHR (0.46) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL27932115 0.75 TSHR (0.42) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL372689 0.74
SCHEMBL24652900 0.74 TSHR (0.45) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL7719555 0.74 TSHR (0.45) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL10751530 0.74 ZDHHC20 (0.47) TSHRALDH1A1MAPK1TDP1ZDHHC20

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190338010-A1 FUSION PROTEINS OF COLLAGEN-BINDING DOMAIN AND PARATHYROID HORMONE THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2019-11-07 US disclosed
US-10358471-B2 Fusion proteins of collagen-binding domain and parathyroid hormone THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2019-07-23 US disclosed
US-10202434-B2 Fusion proteins of collagen-binding domain and parathyroid hormone THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2019-02-12 US disclosed
EP-3091075-B1 FUSION PROTEINS OF COLLAGEN-BINDING DOMAIN AND PARATHYROID HORMONE UNIV ARKANSAS (US) 2018-06-13 EP disclosed
US-20170101457-A1 FUSION PROTEINS OF COLLAGEN-BINDING DOMAIN AND PARATHYROID HORMONE OCHSNER CLINIC FOUNDATION (US) 2017-04-13 US disclosed
EP-2582427-B1 PHOTODYNAMIC BONE STABILIZATION AND DRUG DELIVERY SYSTEMS ILLUMINOSS MEDICAL INC (US) 2015-09-30 EP disclosed
US-9062300-B2 Fusion proteins of collagen-binding domain and parathyroid hormone NATIONAL UNIVERSITY CORPORATION KAGAWA UNIVERSITY (JP) 2015-06-23 US disclosed
US-20130337017-A1 FUSION PROTEINS OF COLLAGEN-BINDING DOMAIN AND PARATHYROID HORMONE NATIONAL UNIVERSITY CORPORATION KAGAWA UNIVERSITY (JP) 2013-12-19 US disclosed
US-8450273-B2 Fusion proteins of collagen-binding domain and parathyroid hormone THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2013-05-28 US disclosed
EP-2582427-A1 PHOTODYNAMIC BONE STABILIZATION AND DRUG DELIVERY SYSTEMS Illuminoss Medical, Inc. (US) 2013-04-24 EP disclosed
WO-2011162910-A1 PHOTODYNAMIC BONE STABILIZATION AND DRUG DELIVERY SYSTEMS ILLUMINOSS MEDICAL, INC. (US) 2011-12-29 WO disclosed
US-20100129341-A1 FUSION PROTEINS OF COLLAGEN-BINDING DOMAIN AND PARATHYROID HORMONE OCHSNER CLINIC FOUNDATION 2010-05-27 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 (5 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-20100129341-A1 FUSION PROTEINS OF COLLAGEN-BINDING DOMAIN AND PARATHYROID HORMONE PTH1R, CALCRL, CALCR TSHR 108/4885ALDH1A1 4476/4885MAPK1 3859/4885
US-20170101457-A1 FUSION PROTEINS OF COLLAGEN-BINDING DOMAIN AND PARATHYROID HORMONE PTH1R, CALCRL, CALCR TSHR 108/4885ALDH1A1 4476/4885MAPK1 3859/4885
US-10358471-B2 Fusion proteins of collagen-binding domain and parathyroid hormone PTH1R, CALCRL, CALCR TSHR 108/4885ALDH1A1 4476/4885MAPK1 3859/4885
US-20190338010-A1 FUSION PROTEINS OF COLLAGEN-BINDING DOMAIN AND PARATHYROID HORMONE PTH1R, CALCRL, CALCR TSHR 108/4885ALDH1A1 4476/4885MAPK1 3859/4885
US-10202434-B2 Fusion proteins of collagen-binding domain and parathyroid hormone PTH1R, CALCRL, CALCR TSHR 108/4885ALDH1A1 4476/4885MAPK1 3859/4885

“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.