Sugi Predict

Sugi Predict / Compounds / SCHEMBL2113444

SCHEMBL2113444

SCHEMBL2113444

Cc1cccc(N2CCN(CCC(=O)O)CC2)c1C

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.64
▸ KMT2A Q03164 4/20 0.64
▸ MEN1 O00255 3/20 0.64
▸ GAA P10253 2/20 0.58
▸ HPGD P15428 1/20 0.58
▸ MAPT P10636 5/20 0.57
▸ TP53 P04637 1/20 0.55
▸ LMNA P02545 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ REV1 Q9UBZ9 1/20 0.54
▸ TSHR P16473 2/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ HTR7 P34969 1/20 0.52

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
SCHEMBL5009458 0.92 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1GAAHPGD
SCHEMBL2114057 0.88 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL5011344 0.87 HPGD (0.67) ALDH1A1KMT2AMEN1GAAHPGD
SCHEMBL5014236 0.84 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1LMNATSHR
SCHEMBL3198507 0.83 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1GAAHPGD
SCHEMBL11808012 0.82 ALDH1A1 (0.67) ALDH1A1KMT2AMEN1GAAHPGD
SCHEMBL14793426 0.80 ALDH1A1 (0.68) ALDH1A1KMT2AMEN1GAAHPGD
SCHEMBL11213938 0.80 MEN1 (0.62) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL3849870 0.80 LMNA (0.54) ALDH1A1KMT2AMEN1GAAHPGD
SCHEMBL10422217 0.80 MEN1 (0.57) ALDH1A1KMT2AMEN1

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 32 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
WO-2008093920-A2 1,2-DIHYDRO-1-OXOPHTHALAZINYL DERIVATIVES HAVING BIOLOGICAL ACTIVITY ON SEROTONIN RECEPTORS 5-HT2A AND 5-HT2C, AND PREPARATION THEREOF DONGBU HITEK CO., LTD. (KR) 2008-08-07 — — WO disclosed
US-6825207-B2 ANTICANCER AGENTS CALIFORNIA PACIFIC MEDICAL CENTER 2004-11-30 — — US disclosed
US-20040204370-A1 COLCHICINE DERIVATIVES SUTTER WEST BAY HOSPITALS, DBA CALIFORNIA PACIFIC MEDICAL CENTER 2004-10-14 — — US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 ALDH1A1 1708/4885KMT2A 2430/4885MEN1 114/4885
US-20030073698-A1 Nitrogen-based camptothecin derivatives DCK, NEK11, NME1 ALDH1A1 1488/4885KMT2A 2819/4885MEN1 1506/4885
US-20040204370-A1 COLCHICINE DERIVATIVES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS, NAP1L4 ALDH1A1 2730/4885KMT2A 572/4885MEN1 1453/4885
US-20090298870-A1 PODOPHYLLOTOXIN DERIVATIVES APEH, DAGLA, DPY30 ALDH1A1 285/4885KMT2A 677/4885MEN1 4599/4885
US-20030032624-A1 Nitrogen-based camptothecin derivatives DCK, NEK11, NME1 ALDH1A1 1488/4885KMT2A 2819/4885MEN1 1506/4885

“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.