SCHEMBL3968417

SCHEMBL3968417

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nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
TDP1 Q9NUW8 1/20 0.44
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 3/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
CYP3A4 P08684 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
BLM P54132 2/20 0.33
KMT2A Q03164 2/20 0.33
HSD17B10 Q99714 1/20 0.33
EPHX2 P34913 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2D6 P10635 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
SCHEMBL176227 1.00 TSHR (0.47) TSHRTDP1PKMSMN1; SMN2ALDH1A1
SCHEMBL176229 1.00 TSHR (0.47) TSHRTDP1PKMSMN1; SMN2ALDH1A1
SCHEMBL6422885 0.91 TSHR (0.46) TSHRTDP1PKMSMN1; SMN2ALDH1A1
SCHEMBL8242298 0.88 SLC1A1 (0.45) TSHRTDP1PKMSMN1; SMN2ALDH1A1
SCHEMBL14667033 0.88 TSHR (0.47) TSHRTDP1PKMSMN1; SMN2ALDH1A1
SCHEMBL666790 0.87 GRIK1 (0.48) TSHRTDP1PKMSMN1; SMN2ALDH1A1
SCHEMBL176228 0.87 GRIK1 (0.48) TSHRTDP1PKMSMN1; SMN2ALDH1A1
SCHEMBL5141195 0.87 TSHR (0.46) TSHRTDP1PKMSMN1; SMN2ALDH1A1
SCHEMBL2519974 0.85 KMT2A (0.48) TSHRTDP1PKMSMN1; SMN2ALDH1A1
SCHEMBL2518196 0.85 CYP2D6 (0.50) TSHRTDP1MAPTCACNA1BAPBA1

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-7585973-B2 Process for producing folic acid derivatives JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2009-09-08 US claimed
US-20070142387-A1 Process for producing folic acid derivatives JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2007-06-21 US claimed
EP-1734044-A1 PROCESS FOR PRODUCING FOLIC ACID DERIVATIVE Japan Science and Technology Agency (JP) 2006-12-20 EP claimed
US-8404650-B2 Methods of treating cancer with doxazolidine and prodrugs thereof THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2013-03-26 US disclosed
EP-1534670-B1 ENZYME ACTIVATED SELF-IMMOLATIVE N-SUBSTITUTED NITROGEN MUSTARD PRODRUGS CANCER REC TECH LTD (GB) 2009-12-02 EP disclosed
US-7585973-B2 Process for producing folic acid derivatives JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2009-09-08 US disclosed
US-7235585-B2 Enzyme activated self-immolative n-substituted nitrogen mustard prodrugs CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-06-26 US disclosed
US-20070142387-A1 Process for producing folic acid derivatives JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2007-06-21 US disclosed
EP-1734044-A1 PROCESS FOR PRODUCING FOLIC ACID DERIVATIVE Japan Science and Technology Agency (JP) 2006-12-20 EP disclosed
US-20060069154-A1 Enzyme activated self-immolative n-substituted nitrogen mustard prodrugs CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2006-03-30 US disclosed
EP-1534670-A1 ENZYME ACTIVATED SELF-IMMOLATIVE N-SUBSTITUTED NITROGEN MUSTARD PRODRUGS Cancer Research Technology Limited (GB) 2005-06-01 EP disclosed
WO-2004020400-A1 ENZYME ACTIVATED SELF-IMMOLATIVE N-SUBSTITUTED NITROGEN MUSTARD PRODRUGS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2004-03-11 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-20070142387-A1 Process for producing folic acid derivatives DHFR, FOLR1, FOLR2 TSHR 2754/4885TDP1 3169/4885PKM 890/4885
US-20060069154-A1 Enzyme activated self-immolative n-substituted nitrogen mustard prodrugs CNDP2, PNP, APRT TSHR 4028/4885TDP1 689/4885PKM 3228/4885

“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.