Sugi Predict

Sugi Predict / Compounds / SCHEMBL2113928

SCHEMBL2113928

SCHEMBL2113928

N#Cc1ccc(OCC(=O)O)cc1F

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTPN7 P35236 1/20 0.49
▸ MAPT P10636 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ALOX15 P16050 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ MCL1 Q07820 1/20 0.45
▸ FFAR1 O14842 2/20 0.45
▸ TRPV4 Q9HBA0 1/20 0.45
▸ PPARG P37231 1/20 0.44
▸ PPARD Q03181 1/20 0.44
▸ PTGDR2 Q9Y5Y4 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CYP11B1 P15538 1/20 0.43
▸ CYP11B2 P19099 1/20 0.43
▸ AKR1B1 P15121 1/20 0.43

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
SCHEMBL5390755 0.84 NPC1 (0.50) MAPTTSHRHSD17B10TRPV4CYP11B1
SCHEMBL5536693 0.81 ALDH1A1 (0.50) MAPTL3MBTL1TSHRHSD17B10PPARG
SCHEMBL23291759 0.81 PTPN7 (0.49) PTPN7MAPTL3MBTL1ALOX15TSHR
SCHEMBL29347118 0.80 TRPA1 (0.46) HSD17B10TRPV4CYP11B1CYP11B2
SCHEMBL29540748 0.80 PTPN7 (0.58) PTPN7MAPTL3MBTL1ALOX15TSHR
SCHEMBL5278365 0.80 PTPN7 (0.58) PTPN7MAPTL3MBTL1ALOX15TSHR
SCHEMBL13032387 0.79 TRPV4 (0.46) TRPV4CYP11B1CYP11B2
SCHEMBL7914374 0.78 FFAR1 (0.67) FFAR1AKR1B1
SCHEMBL19128162 0.78 TRPV4 (0.48) TRPV4CYP11B1CYP11B2
SCHEMBL22588210 0.78 MCL1 (0.60) PTPN7ALOX15TSHRHSD17B10MCL1

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 27 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
WO-2005007076-A2 COLCHICINE DERIVATIVES CALIFORNIA PACIFIC MEDICAL CENTER (US) 2005-01-27 — — WO disclosed
US-20050004169-A1 Podophyllotoxin derivatives SUTTER WEST BAY HOSPITALS, DBA CALIFORNIA PACIFIC MEDICAL CENTER 2005-01-06 — — US disclosed
CN-1553802-A Camptothecin derivatives ����������̫ƽ��ҽѧ���� 2004-12-08 — — CN disclosed
US-6825236-B2 ACTIVE AGAINST TUMORS IN MICE AND ARE GENERALLY WELL TOLERATED 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
US-20040034050-A1 Homo-camptothecin derivatives CATHOLIC HEALTHCARE WEST, DOING BUSINESS AS ST. MARY'S MEDICAL CENTER OF SAN FRANCISCO 2004-02-19 — — US disclosed
WO-2003101406-A1 HOMO-CAMPTOTHECIN DERIVATIVES CALIFORNIA PACIFIC MEDICAL CENTER (US) 2003-12-11 — — WO disclosed
EP-1353673-A1 CAMPTOTHECIN DERIVATIVES California Pacific Medical Center (US) 2003-10-22 — — EP disclosed
WO-2002056885-A1 CAMPTOTHECIN DERIVATIVES CALIFORNIA PACIFIC MEDICAL CENTER (US) 2002-07-25 — — WO disclosed
US-6350756-B1 USEFUL FOR TREATING CANCER; (20S) ESTERS WITH AN OXYALKANOIC ACID; CALIFORNIA PACIFIC MEDICAL CENTER 2002-02-26 — — 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-20050004169-A1 Podophyllotoxin derivatives APEH, DAGLA, DPY30 PTPN7 1537/4885MAPT 3855/4885L3MBTL1 274/4885
US-20040204370-A1 COLCHICINE DERIVATIVES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS, NAP1L4 PTPN7 2822/4885MAPT 1398/4885L3MBTL1 1518/4885
US-20040034050-A1 Homo-camptothecin derivatives CYP8B1, HCAR3, MTHFD2 PTPN7 4295/4885MAPT 3656/4885L3MBTL1 830/4885
US-20090298870-A1 PODOPHYLLOTOXIN DERIVATIVES APEH, DAGLA, DPY30 PTPN7 1537/4885MAPT 3855/4885L3MBTL1 274/4885

“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.