SCHEMBL3407607

SCHEMBL3407607

CC1CC(N=C=S)CC(C)(C)C1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
APLNR P35414 4/20 0.39
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL19227370 0.80 ALDH1A1 (0.45) ALDH1A1
SCHEMBL676571 0.80 ALDH1A1 (0.45) ALDH1A1
SCHEMBL8666695 0.76 ALDH1A1 (0.41) ALDH1A1
SCHEMBL3783239 0.69 ALDH1A1 (0.39) APLNRALDH1A1
SCHEMBL597801 0.69 ALDH1A1 (0.39) APLNRALDH1A1
SCHEMBL3783240 0.69 ALDH1A1 (0.39) APLNRALDH1A1
SCHEMBL598990 0.69 ALDH1A1 (0.39) APLNRALDH1A1
SCHEMBL6049870 0.67 APLNR (0.48) APLNR
SCHEMBL23240196 0.64 APLNR (0.74) APLNR
SCHEMBL3909398 0.64 APLNR (0.65) APLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10869853-B2 Compositions and methods for treating autism spectrum disorders UNIV JOHNS HOPKINS (US) 2020-12-22 US disclosed
US-10660871-B2 2020-05-26 US disclosed
US-20200093780-A9 Compositions and Methods for Treating Autism Spectrum Disorders THE JOHNS HOPKINS UNIVERSITY (US) 2020-03-26 US disclosed
US-20170340595-A1 Compositions and Methods for Treating Autism Spectrum Disorders THE JOHNS HOPKINS UNIVERSITY (US) 2017-11-30 US disclosed
WO-2016054475-A1 COMPOSITIONS AND METHODS FOR TREATING AUTISM SPECTRUM DISORDERS THE JOHNS HOPKINS UNIVERSITY (US) 2016-04-07 WO disclosed
US-8242062-B2 IMS detection of chemical markers in petroleum products AUTHENTIX, INC. (US) 2012-08-14 US disclosed
EP-2264130-A2 Ims detection of chemical markers in petroleum products Authentix, Inc. (US) 2010-12-22 EP disclosed
US-20090022824-A1 Pesticidal formulations AKHIL TECHNOLOGIES PTY LTD (AU) 2009-01-22 US disclosed
US-20070212785-A1 IMS DETECTION OF CHEMICAL MARKERS IN PETROLEUM PRODUCTS AUTHENTIX, INC. (US) 2007-09-13 US disclosed
EP-1588174-A4 IMS DETECTION OF CHEMICAL MARKERS IN PETROLEUM PRODUCTS AUTHENTIX INC (US) 2007-04-25 EP disclosed
WO-2004068113-A2 IMS DETECTION OF CHEMICAL MARKERS IN PETROLEUM PRODUCTS AUTHENTIX, INC. (US) 2004-08-12 WO disclosed
US-20040147413-A1 IMS detection of chemical markers in petroleum products AUTHENTIX, INC. 2004-07-29 US disclosed
EP-1229805-B1 Beverage products comprising a preservative system consisting of an isothiocyanate in combination with a sorbate and/or a benzoate PROCTER & GAMBLE (US) 2004-02-25 EP disclosed
US-20030211209-A1 Products comprising an isothiocyanate preservative system and methods of their use THE PROCTER & GAMBLE CO. 2003-11-13 US disclosed
US-6558723-B2 Sorbate and benzoate preservatives; microbiocides for food and beverages THE PROCTER & GAMBLE CO. 2003-05-06 US disclosed
WO-2003032916-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES STRUCTURAL BIOINFORMATICS INC. (US) 2003-04-24 WO disclosed
US-20020061352-A1 Products comprising an isothiocyanate preservative system and methods of their use ALBION LABORATORIES, INC. (FORMERLY ALBION INTERNATIONAL, INC.) 2002-05-23 US disclosed
US-6361812-B1 WITH PRESERVATIVES SELECTED FROM SORBATE AND BENZOATE PRESERVATIVES; FOR FOOD OR BEVERAGE PRODUCTS THE PROCTER & GAMBLE CO. 2002-03-26 US disclosed
US-5908842-A Substituted 2-acylamino-pyridines as inhibitors of nitric oxide synthase MERCK & CO., INC. (US) 1999-06-01 US disclosed
WO-1996018617-A1 SUBSTITUTED 2-ACYLAMINO-PYRIDINES AS INHIBITORS OF NITRIC OXIDE SYNTHASE MERCK & CO., INC. (US) 1996-06-20 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-20200093780-A9 Compositions and Methods for Treating Autism Spectrum Disorders AHCY, CBS, CTH APLNR 1954/4885ALDH1A1 507/4885
US-20170340595-A1 Compositions and Methods for Treating Autism Spectrum Disorders AHCY, CBS, CTH APLNR 1954/4885ALDH1A1 507/4885
US-10869853-B2 Compositions and methods for treating autism spectrum disorders AHCY, CBS, CTH APLNR 1954/4885ALDH1A1 507/4885
US-10660871-B2 AHCY, CBS, GGT1 APLNR 1962/4885ALDH1A1 806/4885
US-20090022824-A1 Pesticidal formulations DDT, ACHE, PTMS APLNR 3414/4885ALDH1A1 1791/4885

“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.