Butane

Butane

SCHEMBL379581

CC1(C)OC(=O)CC(=O)O1.CCCC

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.40
ACP1 P24666 4/20 0.40
CDC25B P30305 4/20 0.40
LMNA P02545 3/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.31
GLA P06280 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL5976 0.89 TSHR (0.36) PTPN1ACP1CDC25BLMNAALDH1A1
Iodide SCHEMBL588864 0.87 TSHR (0.35) PTPN1ACP1CDC25BLMNATSHR
SCHEMBL6926833 0.78
SCHEMBL5708886 0.76 PTPN1 (0.33) PTPN1ACP1CDC25BLMNAALDH1A1
SCHEMBL8053864 0.75 PTPN1 (0.42) PTPN1ACP1CDC25BLMNAALDH1A1
SCHEMBL18825550 0.75 GLA (0.35) GLANPSR1
SCHEMBL28886220 0.74 CYP3A4 (0.38) LMNAALDH1A1KDM4E
SCHEMBL18835801 0.73
SCHEMBL783191 0.73
SCHEMBL8114959 0.73 SIRT2 (0.32) PTPN1CDC25B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6009385-A None JP disclosed
WO-2024038378-A1 SUBSTITUTED PYRIDINONE COMPOUNDS AS CBL-B INHIBITORS GLENMARK PHARMACEUTICALS LTD (IN) 2024-02-22 WO disclosed
CN-116601158-A Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2023-08-15 CN disclosed
US-8232275-B2 2,2-bis-(hydroxymethyl)cyclopropylidenemethyl-purines and -pyrimidines as antiviral agents WAYNE STATE UNIVERSITY (US) 2012-07-31 US disclosed
EP-2280974-B1 STEREOSELECTIVE SYNTHESIS OF CERTAIN TRIFLUOROMETHYL-SUBSTITUTED ALCOHOLS BOEHRINGER INGELHEIM INT (DE) 2012-01-25 EP disclosed
US-20110275808-A1 STEREOSELECTIVE SYNTHESIS OF CERTAIN TRIFLUOROMETHYL-SUBSTITUTED ALCOHOLS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 US disclosed
US-20110275652-A1 2,2-BIS-(HYDROXYMETHYL)CYCLOPROPYLIDENEMETHYL-PURINES AND -PYRIMIDINES AS ANTIVIRAL AGENTS WAYNE STATE UNIVERSITY 2011-11-10 US disclosed
EP-1490368-B1 2,2-BIS(HYDROXYMETHYL)CYCLOPROPYLIDENEMETHYL - PURINES AND -PYRIMIDINES AS ANTIVIRAL AGENTS UNIV WAYNE STATE (US) 2011-08-03 EP disclosed
EP-2280974-A1 STEREOSELECTIVE SYNTHESIS OF CERTAIN TRIFLUOROMETHYL-SUBSTITUTED ALCOHOLS Boehringer Ingelheim International GmbH (DE) 2011-02-09 EP disclosed
WO-2009134737-A1 STEREOSELECTIVE SYNTHESIS OF CERTAIN TRIFLUOROMETHYL-SUBSTITUTED ALCOHOLS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-05 WO disclosed
US-4110368-A PROSTAGLANDINS, BRONCHODILATOR, ANTIULCER AMERICAN CYANAMID COMPANY (US) 1978-08-29 US disclosed
US-4074056-A ANTIMICROBIAL, HYPOTENSIVE, AND ANTIULCER AGENTS, INTERMEDIATES AMERICAN CYANAMID COMPANY (US) 1978-02-14 US disclosed
US-4061672-A Derivatives of 9-hydroxy-13-trans-prostenoic acid AMERICAN CYANAMID COMPANY (US) 1977-12-06 US disclosed
US-4060540-A BRONCHODILATORS, HYPOTENSIVE, ANTIULCER AMERICAN CYANAMID COMPANY (US) 1977-11-29 US disclosed
US-RE29469-E PROSTAGLANDINS; BRONCHODILATORS, HYPOTENSIVES, ANTIULCER AGENTS AMERICAN CYANAMID COMPANY (US) 1977-11-08 US disclosed
US-4018811-A MICROBIOCIDES, ANTIULCER, HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1977-04-19 US disclosed
US-4007210-A PROSTANOIC ACID DERIVATIVES AMERICAN CYANAMID COMPANY (US) 1977-02-08 US disclosed
US-3966773-A BRONCHODILATOR, HYPOTENSIVE, ANTIULCER AMERICAN CYANAMID COMPANY (US) 1976-06-29 US disclosed
US-3950406-A BRONCHODILATORS, HYPOTENSIVE, ANTIULCER AMERICAN CYANAMID COMPANY (US) 1976-04-13 US disclosed
US-3932479-A BRONCHODILATOR, HYPOTENSIVE, ANTIULCER AMERICAN CYANAMID COMPANY (US) 1976-01-13 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 (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-20110275652-A1 2,2-BIS-(HYDROXYMETHYL)CYCLOPROPYLIDENEMETHYL-PURINES AND -PYRIMIDINES AS ANTIVIRAL AGENTS TPMT, HPRT1, MTAP PTPN1 2883/4885ACP1 4112/4885CDC25B 1640/4885
US-20110275808-A1 STEREOSELECTIVE SYNTHESIS OF CERTAIN TRIFLUOROMETHYL-SUBSTITUTED ALCOHOLS ADH1A, ADH1C, ADH5 PTPN1 4642/4885ACP1 4522/4885CDC25B 3713/4885

“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.