Sugi Predict

Sugi Predict / Compounds / SCHEMBL1250396

SCHEMBL1250396

SCHEMBL1250396

C#CCN(Cc1cnc2[nH]c(N)nc(=O)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 7/20 0.62
▸ TYMS P04818 6/20 0.54
▸ KDM4E B2RXH2 2/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ POLB P06746 2/20 0.53
▸ HPGD P15428 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ GAA P10253 1/20 0.53
▸ AKR1B1 P15121 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ PTGS2 P35354 1/20 0.53
▸ TLR4 O00206 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ GLA P06280 1/20 0.53
▸ HMGB1 P09429 1/20 0.53
▸ MAPT P10636 1/20 0.53

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
SCHEMBL8768814 0.90 DHFR (0.61) DHFRTYMSKDM4EMEN1ALDH1A1
SCHEMBL28344203 0.90 DHFR (0.61) DHFRTYMSKDM4EMEN1ALDH1A1
SCHEMBL29003723 0.90 DHFR (0.60) DHFRTYMSKDM4EMEN1ALDH1A1
SCHEMBL28747353 0.89 TYMS (0.68) DHFRTYMSKDM4EMEN1ALDH1A1
SCHEMBL28273767 0.88 DHFR (0.59) DHFRTYMSKDM4EMEN1ALDH1A1
SCHEMBL5427457 0.88 DHFR (0.59) DHFRTYMSKDM4EMEN1ALDH1A1
SCHEMBL3846647 0.88 DHFR (0.61) DHFRTYMSKDM4EMEN1ALDH1A1
SCHEMBL338037 0.88 DHFR (0.57) DHFRTYMSKDM4EMEN1ALDH1A1
SCHEMBL28736852 0.88 DHFR (0.61) DHFRTYMSKDM4EMEN1ALDH1A1
SCHEMBL25167471 0.87 DHFR (0.57) DHFRTYMSKDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1348362-A Magnetically responsive composition FERX INC (US) 2002-05-08 — — CN claimed
US-11707483-B2 Micellic assemblies UNIVERSITY OF WASHINGTON (US) 2023-07-25 — — US disclosed
CN-111333786-B Preparation method of acid-sensitive adriamycin prodrug based on zwitterion and folic acid targeting 苏州大学 2023-01-06 — — CN disclosed
CN-111333786-A Preparation method of acid-sensitive adriamycin prodrug based on zwitterion and folic acid targeting 苏州大学 2020-06-26 — — CN disclosed
CN-108524529-B Acid-sensitive adriamycin prodrug based on zwitterion and folic acid targeting as well as preparation method and application thereof 苏州大学 2020-05-22 — — CN disclosed
US-20200147121-A1 MICELLIC ASSEMBLIES UNIVERSITY OF WASHINGTON (US) 2020-05-14 — — US disclosed
US-10420790-B2 Micellic assemblies UNIVERSITY OF WASHINGTON (US) 2019-09-24 — — US disclosed
US-10377783-B2 Methods and compounds for enhancing contrast in magnetic resonance imaging (MRI) BROCK UNIVERSITY (CA) 2019-08-13 — — US disclosed
US-20170239360-A1 MICELLIC ASSEMBLIES UNIVERSITY OF WASHINGTON (US) 2017-08-24 — — US disclosed
US-9662403-B2 Micellic assemblies UNIVERSITY OF WASHINGTON (US) 2017-05-30 — — US disclosed
EP-2285853-B1 MICELLIC ASSEMBLIES UNIV WASHINGTON (US) 2013-02-27 — — EP disclosed
US-20110142951-A1 MICELLES FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS UNIVERSITY OF WASHINGTON (US) 2011-06-16 — — US disclosed
US-20110143435-A1 POLYMERIC CARRIER UNIVERSITY OF WASHINGTON (US) 2011-06-16 — — US disclosed
US-20110123636-A1 MICELLIC ASSEMBLIES UNIVERSITY OF WASHINGTON (US) 2011-05-26 — — US disclosed
EP-2296627-A2 MICELLES FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS The University of Washington (US) 2011-03-23 — — EP disclosed
EP-2296708-A2 POLYMERIC CARRIER University of Washington (US) 2011-03-23 — — EP disclosed
EP-2285853-A2 MICELLIC ASSEMBLIES University of Washington (US) 2011-02-23 — — EP disclosed
WO-2009140432-A2 MICELLES FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS UNIVERSITY OF WASHINGTON (US) 2009-11-19 — — WO disclosed
WO-2009140429-A2 MICELLIC ASSEMBLIES UNIVERSITY OF WASHINGTON (US) 2009-11-19 — — WO disclosed
WO-2009140421-A2 POLYMERIC CARRIER UNIVERSITY OF WASHINGTON (US) 2009-11-19 — — 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 (7 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-10377783-B2 Methods and compounds for enhancing contrast in magnetic resonance imaging (MRI) PPIP5K2, FABP7, MPI DHFR 1772/4885TYMS 2801/4885KDM4E 4687/4885
US-11707483-B2 Micellic assemblies UACA, CLPTM1L, BPHL DHFR 917/4885TYMS 2191/4885KDM4E 4681/4885
US-10420790-B2 Micellic assemblies UACA, CLPTM1L, BPHL DHFR 917/4885TYMS 2191/4885KDM4E 4681/4885
US-20200147121-A1 MICELLIC ASSEMBLIES CLPX, VCL, ANXA5 DHFR 1301/4885TYMS 2571/4885KDM4E 4788/4885
US-20110142951-A1 MICELLES FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS ACTB, MTHFD1, SSBP1 DHFR 740/4885TYMS 373/4885KDM4E 4623/4885
US-20170239360-A1 MICELLIC ASSEMBLIES UACA, CLPTM1L, BPHL DHFR 917/4885TYMS 2191/4885KDM4E 4681/4885
US-20110123636-A1 MICELLIC ASSEMBLIES CLPX, VCL, ANXA5 DHFR 1301/4885TYMS 2571/4885KDM4E 4788/4885

“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.