Sugi Predict

Sugi Predict / Compounds / SCHEMBL4512108

SCHEMBL4512108

SCHEMBL4512108

CCCC1CCCN(S(C)(=O)=O)C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ TSHR P16473 3/20 0.43
▸ ATM Q13315 1/20 0.43
▸ MAPK1 P28482 2/20 0.41
▸ CYP4F2 P78329 2/20 0.39
▸ CYP4A11 Q02928 2/20 0.39
▸ CYP2C19 P33261 2/20 0.37
▸ GLA P06280 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ FABP6 P51161 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CYP19A1 P11511 1/20 0.35

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
SCHEMBL13560165 0.89 ALDH1A1 (0.41) GAAALDH1A1TSHRATMPOLB
SCHEMBL4486225 0.87 CYP1A2 (0.40) ALDH1A1TSHRMAPK1CYP2C19CYP3A4
SCHEMBL13560163 0.86 ALDH1A1 (0.50) GAAALDH1A1TSHRATMFABP6
SCHEMBL12768 0.85 GAA (0.46) GAAALDH1A1TSHRATMMAPK1
SCHEMBL13186413 0.85 GAA (0.46) GAAALDH1A1TSHRATMMAPK1
SCHEMBL13198913 0.85 GAA (0.46) GAAALDH1A1TSHRATMMAPK1
SCHEMBL3749547 0.84 ALDH1A1 (0.42) GAAALDH1A1TSHRATMMAPK1
SCHEMBL11980472 0.84 ALDH1A1 (0.42) GAAALDH1A1TSHRATMMAPK1
SCHEMBL4512106 0.84 CYP1A2 (0.36) GAAALDH1A1ATMMAPK1CYP2C19
SCHEMBL12945401 0.84 CYP3A4 (0.35) GAAALDH1A1TSHRATMMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023060369-A1 NOVEL CARBIMIDATE SUBSTITUTED BICYCLIC COMPOUNDS AND THEIR USE AS BETA-LACTAMASE INHIBITORS NINGXIA ACADEMY OF AGRICULTURE AND FORESTRY SCIENCES (CN) 2023-04-20 — — WO disclosed
EP-2909181-B1 PKM2 MODULATORS AND METHODS FOR THEIR USE TOLERO PHARMACEUTICALS INC (US) 2017-08-09 — — EP disclosed
US-20170015631-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE SUMITOMO PHARMA ONCOLOGY, INC. 2017-01-19 — — US disclosed
US-9394257-B2 PKM2 modulators and methods for their use TOLERO PHARMACEUTICALS, INC. (US) 2016-07-19 — — US disclosed
US-20150344436-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE SUMITOMO PHARMA ONCOLOGY, INC. 2015-12-03 — — US disclosed
US-8975247-B2 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNION UNIVERSITY (US) 2015-03-10 — — US disclosed
US-8324199-B2 Pyridazine derivatives as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 — — US disclosed
US-20120276050-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-01 — — US disclosed
US-20120148534-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-06-14 — — US disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 — — US disclosed
US-20110021492-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-01-27 — — US disclosed
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-02-04 — — US disclosed
US-20100015093-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-01-21 — — 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 (8 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-20110021492-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS F11, F12, TFPI2 GAA 3823/4885ALDH1A1 2830/4885TSHR 1896/4885
US-20120148534-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION EIF2AK2, NSUN3, NSUN2 GAA 1100/4885ALDH1A1 2855/4885TSHR 4766/4885
US-20100015093-A1 Methods and compositions of treating a flaviviridae family viral infection EIF2AK2, NSUN3, NSUN2 GAA 1100/4885ALDH1A1 2855/4885TSHR 4766/4885
US-20170015631-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE PDK1, PDK2, PKM GAA 2655/4885ALDH1A1 2333/4885TSHR 249/4885
US-20150344436-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE PDK1, PDK2, PKM GAA 2655/4885ALDH1A1 2333/4885TSHR 249/4885
US-20120276050-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NSUN3, RNGTT, NSUN2 GAA 1351/4885ALDH1A1 3165/4885TSHR 4438/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK GAA 2424/4885ALDH1A1 780/4885TSHR 3127/4885
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection EIF2AK2, NSUN3, NSUN2 GAA 1100/4885ALDH1A1 2855/4885TSHR 4766/4885

“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.