Sugi Predict

Sugi Predict / Compounds / Butane

Butane

Butane

SCHEMBL17837018

C#CCOC(=O)CC(=O)O.CCCC

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ZDHHC20 Q5W0Z9 1/20 0.40
▸ MGAM O43451 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ SI P14410 1/20 0.38
▸ MGAM2 Q2M2H8 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38
▸ TSHR P16473 4/20 0.37
▸ POLB P06746 1/20 0.37
▸ GSTP1 P09211 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ PAM P19021 2/20 0.32
▸ EPHX2 P34913 1/20 0.32
▸ SLC1A3 P43003 1/20 0.32

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
SCHEMBL25284864 0.92 TSHR (0.42) L3MBTL1ZDHHC20MGAMGAASI
Butane SCHEMBL379259 0.90 L3MBTL1 (0.50) L3MBTL1ZDHHC20MGAMGAASI
SCHEMBL10527889 0.80 NPC1 (0.45) L3MBTL1ZDHHC20MGAMGAASI
SCHEMBL7255120 0.79 GAA (0.65) L3MBTL1ZDHHC20MGAMGAASI
Butane SCHEMBL788832 0.78 MGAM (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1356929 0.78 L3MBTL1 (0.44) L3MBTL1ZDHHC20MGAMGAASI
SCHEMBL576638 0.77 — —
SCHEMBL9524131 0.77 MGAM (0.48) L3MBTL1ZDHHC20MGAMGAASI
SCHEMBL577113 0.76 — —
Butane SCHEMBL4659711 0.76 GAA (0.67) MGAMGAASIMGAM2ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200290976-A1 RADIOLABELED MICROTUBULE IMAGING COMPOUNDS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2020-09-17 — — US disclosed
US-10189853-B2 Conformationally restricted 4-substituted-2,6-dimethylfuro[2,3-d]pyrimidines as anti-tumor agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2019-01-29 — — US disclosed
US-20170369500-A1 CONFORMATIONALLY RESTRICTED 4-SUBSTITUTED-2,6-DIMETHYLFURO[2,3-d]PYRIMIDINES AS ANTI-TUMOR AGENTS DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2017-12-28 — — US disclosed
US-9777012-B2 Substituted furo[2,3-d]pyrimidines as multi-targeted receptor tyrosine kinase inhibitors and microtubule targeting antitumor agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2017-10-03 — — US disclosed
WO-2016100495-A1 CONFORMATIONALLY RESTRICTED 4-SUBSTITUTED-2,6-DIMETHYLFURO[2,3-d]PYRIMIDINES AS ANTITUMOR AGENTS DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2016-06-23 — — WO disclosed
US-20160176891-A1 Conformationally Restricted 4-Substituted-2,6-dimethylfuro[2,3-d]pyrimidines as Multi-targeted Receptor Tyrosine Kinase Inhibitors and Microtubule Targeting Antitumor Agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2016-06-23 — — US 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-20160176891-A1 Conformationally Restricted 4-Substituted-2,6-dimethylfuro[2,3-d]pyrimidines as Multi-targeted Receptor Tyrosine Kinase Inhibitors and Microtubule Targeting Antitumor Agents ERBB2, MAP2, TUBB6 L3MBTL1 4132/4885ZDHHC20 2759/4885MGAM 4612/4885
US-20170369500-A1 CONFORMATIONALLY RESTRICTED 4-SUBSTITUTED-2,6-DIMETHYLFURO[2,3-d]PYRIMIDINES AS ANTI-TUMOR AGENTS ERBB2, DCK, DHFR L3MBTL1 3146/4885ZDHHC20 2407/4885MGAM 4469/4885
US-10189853-B2 Conformationally restricted 4-substituted-2,6-dimethylfuro[2,3-d]pyrimidines as anti-tumor agents ERBB2, DCK, DHFR L3MBTL1 3146/4885ZDHHC20 2407/4885MGAM 4469/4885
US-20200290976-A1 RADIOLABELED MICROTUBULE IMAGING COMPOUNDS AND USES THEREOF TUBB3, MAP2, MAPT L3MBTL1 1543/4885ZDHHC20 1415/4885MGAM 4079/4885

“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.