Sugi Predict

Sugi Predict / Compounds / SCHEMBL4858734

SCHEMBL4858734

SCHEMBL4858734

O=C(O)CCCCCCCCNC(=O)OCc1ccccc1

nearest known ligand 0.88

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.88
▸ TGM2 P21980 1/20 0.68
▸ FOLH1 Q04609 6/20 0.64
▸ LMNA P02545 1/20 0.63
▸ SMN1; SMN2 Q16637 1/20 0.63
▸ KEAP1 Q14145 2/20 0.61
▸ NFE2L2 Q16236 2/20 0.61
▸ KMT2A Q03164 2/20 0.60
▸ PTGER4 P35408 3/20 0.57
▸ MEN1 O00255 1/20 0.55
▸ TPSAB1 Q15661 1/20 0.55
▸ TPSD1 Q9BZJ3 1/20 0.55
▸ TPSG1 Q9NRR2 1/20 0.55

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
SCHEMBL125577 1.00 HTT (0.88) HTTTGM2FOLH1LMNASMN1; SMN2
SCHEMBL8674198 1.00 HTT (0.88) HTTTGM2FOLH1LMNASMN1; SMN2
SCHEMBL2876850 1.00 HTT (0.88) HTTTGM2FOLH1LMNASMN1; SMN2
SCHEMBL3693087 1.00 HTT (0.88) HTTTGM2FOLH1LMNASMN1; SMN2
SCHEMBL3287016 1.00 HTT (0.88) HTTTGM2FOLH1LMNASMN1; SMN2
SCHEMBL3694316 1.00 HTT (0.88) HTTTGM2FOLH1LMNASMN1; SMN2
SCHEMBL4857273 1.00 HTT (0.88) HTTTGM2FOLH1LMNASMN1; SMN2
SCHEMBL2875581 1.00 HTT (0.88) HTTTGM2FOLH1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL4438046 0.98 HTT (0.86) HTTTGM2FOLH1LMNASMN1; SMN2
SCHEMBL879577 0.98 HTT (0.91) HTTTGM2FOLH1LMNASMN1; SMN2

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-10919926-B2 Compound or salt thereof, natural killer T cell activator, and pharmaceutical composition KEIO UNIVERSITY (JP) 2021-02-16 — — US disclosed
US-10919926-B2 Compound or salt thereof, natural killer T cell activator, and pharmaceutical composition KEIO UNIVERSITY (JP) 2021-02-16 — — US disclosed
US-20200207798-A1 COMPOUND OR SALT THEREOF, NATURAL KILLER T CELL ACTIVATOR, AND PHARMACEUTICAL COMPOSITION KEIO UNIVERSITY (JP) 2020-07-02 — — US disclosed
US-20200207798-A1 COMPOUND OR SALT THEREOF, NATURAL KILLER T CELL ACTIVATOR, AND PHARMACEUTICAL COMPOSITION KEIO UNIVERSITY (JP) 2020-07-02 — — US disclosed
EP-3434684-A1 COMPOUND OR SALT THEREOF, NATURAL KILLER T CELL ACTIVATOR, AND PHARMACEUTICAL COMPOSITION Keio University (JP) 2019-01-30 — — EP disclosed
WO-2017163808-A1 COMPOUND OR SALT THEREOF, NATURAL KILLER T CELL ACTIVATOR, AND PHARMACEUTICAL COMPOSITION 学校法人慶應義塾 2017-09-28 — — WO disclosed
US-20080167491-A1 T-butoxycarbonylaminoethylamine for the Synthesis of PNA Monomer Units, Amino Acid Derivatives, Intermediates Thereof, and Processes for Productions of Them CREDIA JAPAN CO., LTD. (JP) 2008-07-10 — — US disclosed
US-7351852-B2 Simple and efficient preparation of an amino acid, alpha-tertiary-butoxycarbonylaminoethylamino-),alpha-(alkyl-)acetic acid; used to prepare peptide nucleic acids (PNA) including those having photosensitive functional groups; reduction step of benzyloxycarbonyl- omega -amino acid derivatives CREDIA JAPAN CO., LTD. (JP) 2008-04-01 — — US disclosed
EP-1318142-B1 T-BUTOXYCARBONYLAMINOETHYLAMINE FOR THE SYNTHESIS OF PNA MONOMER UNITS, AMINO ACID DERIVATIVES, INTERMEDIATES THEREOF, AND PROCESSES FOR PRODUCTIONS OF THEM CREDIA JAPAN CO LTD (JP) 2007-04-11 — — EP disclosed
US-20050187402-A1 T-butoxycarbonylaminoethylamine for the synthesis of PNA monomer units, amino acid derivatives, intermediates thereof, and processes for productions of them CREDIA JAPAN CO., LTD. (JP) 2005-08-25 — — US disclosed
US-6919476-B2 T-butoxycarbonylaminoethylamine for the synthesis of PNA monomer units, amino acid derivatives, intermediates thereof, and processes for productions of them CREDIA JAPAN CO., LTD. (JP) 2005-07-19 — — US disclosed
EP-1318142-A1 T-BUTOXYCARBONYLAMINOETHYLAMINE FOR THE SYNTHESIS OF PNA MONOMER UNITS, AMINO ACID DERIVATIVES, INTERMEDIATES THEREOF, AND PROCESSES FOR PRODUCTIONS OF THEM Applied Biosystems Japan Ltd. (JP) 2003-06-11 — — EP 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 (4 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-20080167491-A1 T-butoxycarbonylaminoethylamine for the Synthesis of PNA Monomer Units, Amino Acid Derivatives, Intermediates Thereof, and Processes for Productions of Them BCAT1, BCAT2, RNGTT HTT 1342/4885TGM2 852/4885FOLH1 3291/4885
US-20050187402-A1 T-butoxycarbonylaminoethylamine for the synthesis of PNA monomer units, amino acid derivatives, intermediates thereof, and processes for productions of them BCAT1, BCAT2, RNGTT HTT 1342/4885TGM2 852/4885FOLH1 3291/4885
US-20200207798-A1 COMPOUND OR SALT THEREOF, NATURAL KILLER T CELL ACTIVATOR, AND PHARMACEUTICAL COMPOSITION CD4, NFATC1, PBK HTT 2618/4885TGM2 4728/4885FOLH1 3070/4885
US-10919926-B2 Compound or salt thereof, natural killer T cell activator, and pharmaceutical composition CD4, NFATC1, PBK HTT 2847/4885TGM2 4387/4885FOLH1 2976/4885

“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.