SCHEMBL4587199

SCHEMBL4587199

CCOC(=O)[C@@H](N)C(C)(C)S

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
MAPT P10636 1/20 0.52
PTGS1 P23219 1/20 0.52
ALOX15 P16050 1/20 0.41
CPB2 Q96IY4 2/20 0.41
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
METAP2 P50579 2/20 0.36
METAP1 P53582 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SOAT1 P35610 1/20 0.36
CAD P27708 1/20 0.34
MMP8 P22894 1/20 0.34
TRPA1 O75762 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
SCHEMBL10509853 1.00 ALDH1A1 (0.52) ALDH1A1MAPTPTGS1ALOX15CPB2
Hydrochloric Acid SCHEMBL11562273 0.98 ALDH1A1 (0.50) ALDH1A1MAPTPTGS1ALOX15CPB2
Hydrochloric Acid SCHEMBL10655443 0.98 ALDH1A1 (0.50) ALDH1A1MAPTPTGS1ALOX15CPB2
SCHEMBL11720401 0.92 ALDH1A1 (0.45) ALDH1A1MAPTPTGS1ALOX15CPB2
SCHEMBL4079531 0.82 ALOX15 (0.44) ALDH1A1MAPTPTGS1ALOX15CPB2
SCHEMBL8004357 0.82 ALOX15 (0.44) ALDH1A1MAPTPTGS1ALOX15CPB2
SCHEMBL14769893 0.82 ALOX15 (0.44) ALDH1A1MAPTPTGS1ALOX15CPB2
SCHEMBL17803395 0.80 ALOX15 (0.42) ALDH1A1MAPTPTGS1ALOX15CPB2
Hydrochloric Acid SCHEMBL28058649 0.80 ALOX15 (0.42) ALDH1A1MAPTPTGS1ALOX15CPB2
SCHEMBL5250175 0.77 ALDH1A1 (0.56) ALDH1A1MAPTPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539023-A4 TREATMENT OF MULTIPLE SCLEROSIS WITH BRAIN TARGETED ANTI OXIDANT COMPOUNDS YISSUM RES DEV CO (IL) 2008-12-31 EP claimed
US-20060211628-A1 Treatment of multiple sclerosis with brain targeted anti oxidant compounds MOR RESEARCH APPLICATIONS LTD. (IL) 2006-09-21 US claimed
EP-1539023-A2 TREATMENT OF MULTIPLE SCLEROSIS WITH BRAIN TARGETED ANTI OXIDANT COMPOUNDS Yissum Research Development Company, of The Hebrew University of Jerusalem (IL) 2005-06-15 EP claimed
EP-0948258-A4 BRAIN TARGETED LOW MOLECULAR WEIGHT HYDROPHOBIC ANTIOXIDANT COMPOUNDS YISSUM RES DEV CO (IL) 2004-12-01 EP claimed
WO-2004012652-A9 TREATMENT OF MULTIPLE SCLEROSIS WITH BRAIN TARGETED ANTI OXIDANT COMPOUNDS YISSUM RES DEV CO (IL) 2004-06-17 WO claimed
WO-2004012652-A2 TREATMENT OF MULTIPLE SCLEROSIS WITH BRAIN TARGETED ANTI OXIDANT COMPOUNDS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2004-02-12 WO claimed
EP-1242070-A4 TREATMENT OF ISCHEMIC BRAIN INJURIES WITH BRAIN TARGETTED ANTIOXIDANT COMPOUNDS YISSUM RES DEV CO (IL) 2003-05-28 EP claimed
US-20030083266-A1 Treatment of ischemic brain injuries with brain targeted antioxidant compounds RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2003-05-01 US claimed
EP-1242070-A2 TREATMENT OF ISCHEMIC BRAIN INJURIES WITH BRAIN TARGETTED ANTIOXIDANT COMPOUNDS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2002-09-25 EP claimed
EP-1059288-B1 Process for the ring cleavage of thiazolidine derivatives CONSORTIUM ELEKTROCHEM IND (DE) 2002-07-17 EP claimed
US-6372912-B1 Process for ring cleavage of thiazolidine derivatives CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 2002-04-16 US claimed
US-6369106-B1 SULFHYDRYL CONTAINING COMPOUND AS ANTIOXIDANT YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2002-04-09 US claimed
WO-2001047469-A2 TREATMENT OF ISCHEMIC BRAIN INJURIES WITH BRAIN TARGETTED ANTIOXIDANT COMPOUNDS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2001-07-05 WO claimed
EP-1059288-A1 Process for the ring cleavage of thiazolidine derivatives Consortium für elektrochemische Industrie GmbH (DE) 2000-12-13 EP claimed
EP-0948258-A1 BRAIN TARGETED LOW MOLECULAR WEIGHT HYDROPHOBIC ANTIOXIDANT COMPOUNDS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 1999-10-13 EP claimed
WO-1998029375-A1 BRAIN TARGETED LOW MOLECULAR WEIGHT HYDROPHOBIC ANTIOXIDANT COMPOUNDS YISSUM RESEARCH AND DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 1998-07-09 WO claimed
EP-1539023-A4 TREATMENT OF MULTIPLE SCLEROSIS WITH BRAIN TARGETED ANTI OXIDANT COMPOUNDS YISSUM RES DEV CO (IL) 2008-12-31 EP disclosed
US-20060211628-A1 Treatment of multiple sclerosis with brain targeted anti oxidant compounds MOR RESEARCH APPLICATIONS LTD. (IL) 2006-09-21 US disclosed
US-5874468-A Brain targeted low molecular weight hydrophobic antioxidant compounds YISSUM (IL) 1999-02-23 US disclosed
WO-1998029375-A1 BRAIN TARGETED LOW MOLECULAR WEIGHT HYDROPHOBIC ANTIOXIDANT COMPOUNDS YISSUM RESEARCH AND DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 1998-07-09 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 (2 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-20060211628-A1 Treatment of multiple sclerosis with brain targeted anti oxidant compounds TXNRD2, TXN2, TXNRD1 ALDH1A1 2053/4885MAPT 771/4885PTGS1 473/4885
US-20030083266-A1 Treatment of ischemic brain injuries with brain targeted antioxidant compounds GPX4, GPX1, TXN2 ALDH1A1 660/4885MAPT 1162/4885PTGS1 192/4885

“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.