SCHEMBL85431

SCHEMBL85431

CCCC(=O)NCCN1CCOCC1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.60
HSD17B10 Q99714 2/20 0.57
POLB P06746 3/20 0.56
TDP1 Q9NUW8 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 1/20 0.52
KMT2A Q03164 1/20 0.52

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
Hydrochloric Acid SCHEMBL5843426 0.98 TSHR (0.62) TSHRHSD17B10POLBTDP1SMN1; SMN2
SCHEMBL14393566 0.90 ALDH1A1 (0.64) HSD17B10ALDH1A1KMT2A
SCHEMBL1726735 0.90 TSHR (0.57) TSHRHSD17B10POLBTDP1SMN1; SMN2
SCHEMBL2811459 0.89 TSHR (0.56) TSHRHSD17B10POLBTDP1SMN1; SMN2
SCHEMBL28191332 0.89 TSHR (0.56) TSHRHSD17B10POLBTDP1SMN1; SMN2
SCHEMBL26393724 0.88 FAAH (0.55) TSHRHSD17B10POLBTDP1ALDH1A1
SCHEMBL9633498 0.88 FAAH (0.55) TSHRHSD17B10POLBTDP1ALDH1A1
SCHEMBL84933 0.86 TSHR (0.59) TSHRHSD17B10POLBTDP1SMN1; SMN2
SCHEMBL15079103 0.85 HSD17B10 (0.56) TSHRHSD17B10POLBTDP1SMN1; SMN2
Sulfuric Acid SCHEMBL1819503 0.85 TSHR (0.56) TSHRHSD17B10POLBTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7034020-B2 Derivatives of butyric acid and uses thereof THE UNIVERSITY OF ARKANSAS FOR MEDICAL SCIENCE (US) 2006-04-25 US claimed
US-20040127564-A1 Derivatives of butyric acid and uses thereof THE UNIVERSITY OF ARKANSAS FOR MEDICAL SCIENCES 2004-07-01 US claimed
US-20020143056-A1 Derivatives of butyric acid and uses thereof THE UNIVERSITY OF ARKANSAS FOR MEDICAL SCIENCES 2002-10-03 US claimed
WO-2000073257-A1 DERIVATIVES OF BUTYRIC ACID AND USES THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2000-12-07 WO claimed
US-20170348320-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE AMBIT BIOSCIENCES CORP (US) 2017-12-07 US disclosed
US-20170348320-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE AMBIT BIOSCIENCES CORP (US) 2017-12-07 US disclosed
WO-2017176040-A1 HETEROCYCLIC COMPOUND DECOMPOSING RAS AND USES THEREOF 연세대학교 산학협력단 2017-10-12 WO disclosed
WO-2014165746-A1 METHODS AND COMPOSITIONS USING ADAM10 INHIBITORS TO TREAT BACTERIAL INFECTIONS THE UNIVERSITY OF CHICAGO (US) 2014-10-09 WO disclosed
US-8747904-B2 Polymeric micelles for polynucleotide encapsulation INTEZYNE TECHNOLOGIES, INC. (US) 2014-06-10 US disclosed
US-20130266617-A1 POLYMERIC MICELLES FOR POLYNUCLEOTIDE ENCAPSULATION INTEZYNE TECHNOLOGIES, INC. (US) 2013-10-10 US disclosed
US-20130266617-A1 POLYMERIC MICELLES FOR POLYNUCLEOTIDE ENCAPSULATION INTEZYNE TECHNOLOGIES, INC. (US) 2013-10-10 US disclosed
US-8287910-B2 Polymeric micelles for polynucleotide encapsulation INTEZYNE TECHNOLOGIES, INC. (US) 2012-10-16 US disclosed
US-20070232604-A1 receptor kinase inhibitors such as 3-(2-{4-[3-(5-tert-Butyl-isoxazol-3-yl)-ureido]-phenyl}-benzo[d]imidazo[2,1-b]thiazol-7-yl)-N-(2-morpholin-4-yl-ethyl)-propionamide; flk inhibitors AMBIT BIOSCIENCES CORPORATION 2007-10-04 US disclosed
US-7034020-B2 Derivatives of butyric acid and uses thereof THE UNIVERSITY OF ARKANSAS FOR MEDICAL SCIENCE (US) 2006-04-25 US disclosed
US-20040127564-A1 Derivatives of butyric acid and uses thereof THE UNIVERSITY OF ARKANSAS FOR MEDICAL SCIENCES 2004-07-01 US disclosed
US-6664394-B2 As inactivator of antigen- specific T cells is useful in the prophylaxis or therapy of autoimmune diseases, disorders involving an autoimmune component or neoplastic diseases THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS 2003-12-16 US disclosed
US-20020143056-A1 Derivatives of butyric acid and uses thereof THE UNIVERSITY OF ARKANSAS FOR MEDICAL SCIENCES 2002-10-03 US disclosed
US-6407107-B1 4-(MORPHOLINO)ALKYL BUTANAMIDE DERIVATIVES; AUTOIMMUNE DISEASES; ANTICARCINOGENIC AGENTS THE BOARD OF TRUSTEES OF THE UNVERSITY OF ARKANSAS 2002-06-18 US disclosed
CN-1335849-A Pyrrolopyrimidines as protein kinase inhibitors BASF AG (DE) 2002-02-13 CN disclosed
WO-2000073257-A1 DERIVATIVES OF BUTYRIC ACID AND USES THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2000-12-07 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 (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-20020143056-A1 Derivatives of butyric acid and uses thereof CD4, NFATC1, GABRA4 TSHR 2972/4885HSD17B10 969/4885POLB 3390/4885
US-20170348320-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE GRK2, GRK4, GRK3 TSHR 415/4885HSD17B10 3157/4885POLB 2648/4885
US-20070232604-A1 receptor kinase inhibitors such as 3-(2-{4-[3-(5-tert-Butyl-isoxazol-3-yl)-ureido]-phenyl}-benzo[d]imidazo[2,1-b]thiazol-7-yl)-N-(2-morpholin-4-yl-ethyl)-propionamide; flk inhibitors GRK2, GRK3, BLK TSHR 395/4885HSD17B10 4571/4885POLB 3371/4885
US-20130266617-A1 POLYMERIC MICELLES FOR POLYNUCLEOTIDE ENCAPSULATION NCL, POLN, CHMP4B TSHR 3319/4885HSD17B10 4042/4885POLB 6/4885
US-20040127564-A1 Derivatives of butyric acid and uses thereof CD4, NFATC1, GABRA4 TSHR 3006/4885HSD17B10 912/4885POLB 3422/4885

“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.