SCHEMBL1249082

SCHEMBL1249082

O=C1NC(=S)SC1=Cc1cccc(OCc2ccccc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 3/20 1.00
MMP13 P45452 3/20 1.00
GSK3B P49841 3/20 0.79
MMP3 P08254 2/20 0.77
IDH1 O75874 1/20 0.76
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
CISD1 Q9NZ45 1/20 0.67
MGAM O43451 1/20 0.67
GAA P10253 1/20 0.67
SI P14410 1/20 0.67
MGAM2 Q2M2H8 1/20 0.67
PTP4A3 O75365 1/20 0.64
CNR1 P21554 1/20 0.64
NAT1 P18440 1/20 0.64
CTSD P07339 1/20 0.62

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
SCHEMBL1249080 1.00 ADAMTS5 (1.00) ADAMTS5MMP13GSK3BMMP3IDH1
SCHEMBL12891797 1.00 ADAMTS5 (1.00) ADAMTS5MMP13GSK3BMMP3IDH1
SCHEMBL7968335 0.90 ADAMTS5 (0.81) ADAMTS5MMP13GSK3BMMP3IDH1
SCHEMBL7968336 0.90 ADAMTS5 (0.81) ADAMTS5MMP13GSK3BMMP3IDH1
SCHEMBL1248799 0.88 CNR1 (0.81) ADAMTS5MMP13MMP3MEN1KMT2A
SCHEMBL1248797 0.88 CNR1 (0.81) ADAMTS5MMP13MMP3MEN1KMT2A
SCHEMBL9433307 0.88 CNR1 (0.81) ADAMTS5MMP13MMP3MEN1KMT2A
SCHEMBL7972192 0.87 ADAMTS5 (0.77) ADAMTS5MMP13GSK3BMMP3IDH1
SCHEMBL21538213 0.87 ADAMTS5 (0.77) ADAMTS5MMP13GSK3BMMP3IDH1
SCHEMBL20976496 0.87 ADAMTS5 (0.77) ADAMTS5MMP13GSK3BMMP3IDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160102065-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREOF PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2016-04-14 US claimed
US-9982309-B2 Method for treating cell proliferation related disorders AGIOS PHARMACEUTICALS, INC. (US) 2018-05-29 US disclosed
US-9896421-B2 Compound having skin-whitening, anti-oxidizing and PPAR activities and medical use thereof PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2018-02-20 US disclosed
US-20170325708-A1 METHODS AND COMPOSITIONS FOR CELL-PROLIFERATION-RELATED DISORDERS AGIOS PHARMACEUTICALS, INC. (US) 2017-11-16 US disclosed
US-20170044620-A1 METHODS AND COMPOSITIONS FOR CELL-PROLIFERATION-RELATED DISORDERS SERVIER PHARMACEUTICALS LLC 2017-02-16 US disclosed
US-9434979-B2 Methods and compositions for cell-proliferation-related disorders SERVIER PHARMACEUTICALS LLC 2016-09-06 US disclosed
US-20160102065-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREOF PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2016-04-14 US disclosed
US-9216148-B2 Compound having skin-whitening, anti-oxidizing and PPAR activities and medical use therefor PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2015-12-22 US disclosed
US-20150240286-A1 METHODS AND COMPOSITIONS FOR CELL-PROLIFERATION-RELATED DISORDERS AGIOS PHARMACEUTICALS, INC (US) 2015-08-27 US disclosed
US-20140187435-A1 METHODS AND COMPOSITIONS FOR CELL-PROLIFERATION-RELATED DISORDERS AGIOS PHARMACEUTICALS, INC (US) 2014-07-03 US disclosed
EP-1610812-A1 PHARMACEUTICAL PREPARATIONS COMPRISING ACID-STABILISED INSULIN NOVO NORDISK A/S (DK) 2006-01-04 EP disclosed
EP-1605967-A1 NOVEL NPH INSULIN PREPARATIONS NOVO NORDISK A/S (DK) 2005-12-21 EP disclosed
EP-1585541-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING INSULIN AND LEGENDS OF INSULIN HEXAMER NOVO NORDISK A/S (DK) 2005-10-19 EP disclosed
US-20050065066-A1 comprising insulin and novel ligands for the HisB10 Zn2+ sites of the R-state insulin hexamer; physical and chemical stability NOVO NORDISK A/S (DK) 2005-03-24 US disclosed
WO-2004080481-A1 NOVEL NPH INSULIN PREPARATIONS NOVO NORDISK A/S (DK) 2004-09-23 WO disclosed
WO-2004080480-A1 PHARMACEUTICAL PREPARATIONS COMPRISING ACID-STABILISED INSULIN NOVO NORDISK A/S (DK) 2004-09-23 WO disclosed
WO-2004056347-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING INSULIN AND LEGENDS OF INSULIN HEXAMER NOVO NORDISK A/S (DK) 2004-07-08 WO disclosed
EP-1429763-A2 NOVEL LIGANDS FOR THE HisB10 Zn2+ SITES OF THE R-STATE INSULIN HEXAMER NOVO NORDISK A/S (DK) 2004-06-23 EP disclosed
US-20030229120-A1 Novel ligands for the hisb10 zn2+ sites of the r-state insulin hexamer NOVO NORDISK A/S (DK) 2003-12-11 US disclosed
WO-2003027081-A2 NOVEL LIGANDS FOR THE HisB10 Zn2+ SITES OF THE R-STATE INSULIN HEXAMER NOVO NORDISK A/S (DK) 2003-04-03 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-20170325708-A1 METHODS AND COMPOSITIONS FOR CELL-PROLIFERATION-RELATED DISORDERS MKI67, BRCA1, CLN6 ADAMTS5 1332/4885MMP13 1460/4885GSK3B 3263/4885
US-20030229120-A1 Novel ligands for the hisb10 zn2+ sites of the r-state insulin hexamer IAPP, IRS1, GPR119 ADAMTS5 3729/4885MMP13 3957/4885GSK3B 4545/4885
US-20170044620-A1 METHODS AND COMPOSITIONS FOR CELL-PROLIFERATION-RELATED DISORDERS IDH2, IDH1, IDH3B ADAMTS5 1629/4885MMP13 1044/4885GSK3B 1425/4885
US-20160102065-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREOF PPARG, PPARA, TYR ADAMTS5 2030/4885MMP13 123/4885GSK3B 3223/4885
US-20050065066-A1 comprising insulin and novel ligands for the HisB10 Zn2+ sites of the R-state insulin hexamer; physical and chemical stability IAPP, IRS1, INSR ADAMTS5 3575/4885MMP13 3353/4885GSK3B 3239/4885

“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.