Sugi Predict

Sugi Predict / Compounds / SCHEMBL2114079

SCHEMBL2114079

SCHEMBL2114079

O=C(O)CCN1CCN(C2CCCCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 5/20 0.51
▸ KDM4E B2RXH2 4/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ CYP1A2 P05177 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ GLA P06280 1/20 0.46
▸ POLB P06746 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ CHRM5 P08912 2/20 0.43
▸ CHRM1 P11229 2/20 0.43
▸ PHGDH O43175 1/20 0.43
▸ MGLL Q99685 1/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ CHRM4 P08173 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ TMEM97 Q5BJF2 1/20 0.42

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
SCHEMBL2113233 0.86 SMN1; SMN2 (0.52) KDM4EALDH1A1MEN1KMT2ACYP1A2
SCHEMBL5842304 0.85 SIGMAR1 (0.54) SIGMAR1KDM4EALDH1A1TDP1MEN1
SCHEMBL12881317 0.84 ALDH1A1 (0.45) SIGMAR1KDM4EALDH1A1TDP1CYP1A2
Hydrochloric Acid SCHEMBL5174007 0.84 SMN1; SMN2 (0.50) KDM4EALDH1A1MEN1KMT2ACYP1A2
SCHEMBL25755511 0.83 KDM4E (0.53) KDM4EALDH1A1MEN1KMT2ACYP1A2
SCHEMBL7198313 0.81 SIGMAR1 (0.63) SIGMAR1KDM4EALDH1A1TDP1MEN1
SCHEMBL12774085 0.81 GLA (0.44) KDM4EALDH1A1CYP1A2MAPK1SMN1; SMN2
SCHEMBL6658589 0.80 SIGMAR1 (0.51) SIGMAR1PHGDHMGLLTMEM97
SCHEMBL25754564 0.80 SIGMAR1 (0.54) SIGMAR1KDM4EALDH1A1CYP1A2POLB
SCHEMBL975896 0.79 SIGMAR1 (0.73) SIGMAR1ALDH1A1MEN1KMT2ASMN1; 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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2388003-B1 Colchicine derivatives CALIFORNIA PACIFIC MEDICAL CENTER (US) 2021-12-29 — — EP disclosed
EP-3207929-B1 COLCHICINE DERIVATIVES FOR THE TREATMENT OF CANCER CALIFORNIA PACIFIC MEDICAL CENTER (US) 2021-05-26 — — EP disclosed
EP-3207929-A2 COLCHICINE DERIVATIVES California Pacific Medical Center (US) 2017-08-23 — — EP disclosed
EP-1617843-B1 COLCHICINE DERIVATIVES CALIFORNIA PACIFIC MEDICAL CENTER (US) 2016-12-21 — — EP disclosed
EP-1643987-B1 PODOPHYLLOTOXIN DERIVATIVES CALIFORNIA PACIFIC MED CENTER (US) 2016-11-30 — — EP disclosed
US-8158809-B2 Podophyllotoxin derivatives SUTTER WEST BAY HOSPITALS (US) 2012-04-17 — — US disclosed
EP-2388003-A2 Colchicine derivatives California Pacific Medical Center (US) 2011-11-23 — — EP disclosed
US-20090298870-A1 PODOPHYLLOTOXIN DERIVATIVES Sutter West Bay Hospitals, dba California Pacific Medical Center and Catholic Healthcare West 2009-12-03 — — US disclosed
US-7605262-B2 Podophyllotoxin derivatives SUTTER WEST BAY HOSPITALS (US) 2009-10-20 — — US disclosed
EP-1643987-A4 PODOPHYLLOTOXIN DERIVATIVES CALIFORNIA PACIFIC MED CENTER (US) 2008-07-09 — — EP disclosed
CN-1511159-A Nitrogen-based camptothecin derivatives ����������̫ƽ��ҽѧ���� 2004-07-07 — — CN disclosed
US-20040063740-A1 For treatment of cancer SUTTER WEST BAY HOSPITALS, DBA CALIFORNIA PACIFIC MEDICAL CENTER 2004-04-01 — — US disclosed
EP-1383772-A2 NITROGEN-BASED CAMPTOTHECIN DERIVATIVES California Pacific Medical Center (US) 2004-01-28 — — EP disclosed
WO-2003101998-A1 NITROGEN-BASED HOMO-CAMPTOTHECIN DERIVATIVES CALIFORNIA PACIFIC MEDICAL CENTER (US) 2003-12-11 — — WO disclosed
US-20030073698-A1 Nitrogen-based camptothecin derivatives US ARMY, SECRETARY OF THE ARMY 2003-04-17 — — US disclosed
US-20030032624-A1 Nitrogen-based camptothecin derivatives US ARMY, SECRETARY OF THE ARMY 2003-02-13 — — US disclosed
WO-2002070525-A2 NITROGEN-BASED CAMPTOTHECIN DERIVATIVES CALIFORNIA PACIFIC MEDICAL CENTER (US) 2002-09-12 — — WO disclosed
US-6403604-B1 ANTITUMOR CALIFORNIA PACIFIC MEDICAL CENTER 2002-06-11 — — US disclosed
EP-0699674-A1 1-Aryl-2-acetylamidopentanone derivatives for use as tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 1996-03-06 — — EP disclosed
EP-0686629-A2 Cyclohexyl tachykinine receptor antagonists ELI LILLY AND COMPANY (US) 1995-12-13 — — 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-20040063740-A1 For treatment of cancer MGMT, PAICS, DCK SIGMAR1 4740/4885KDM4E 2628/4885ALDH1A1 1708/4885
US-20030073698-A1 Nitrogen-based camptothecin derivatives DCK, NEK11, NME1 SIGMAR1 3384/4885KDM4E 2741/4885ALDH1A1 1488/4885
US-20090298870-A1 PODOPHYLLOTOXIN DERIVATIVES APEH, DAGLA, DPY30 SIGMAR1 2960/4885KDM4E 37/4885ALDH1A1 285/4885
US-20030032624-A1 Nitrogen-based camptothecin derivatives DCK, NEK11, NME1 SIGMAR1 3384/4885KDM4E 2741/4885ALDH1A1 1488/4885

“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.