SCHEMBL4967154

SCHEMBL4967154

CCC(CC)c1cscn1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
HRH1 P35367 1/20 0.33
KCNH2 Q12809 1/20 0.33
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KDM4E B2RXH2 1/20 0.30
SLC6A3 Q01959 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
SCHEMBL26526887 0.88 ALDH1A1 (0.35) ALDH1A1TSHRHRH1KCNH2
SCHEMBL5013430 0.85 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL23395171 0.85 ALDH1A1 (0.33) ALDH1A1TSHRKDM4E
SCHEMBL5013427 0.83 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL2207385 0.78
SCHEMBL23565497 0.77 CA2 (0.34) ALDH1A1TSHRLMNAKDM4E
SCHEMBL16313108 0.72 ALDH1A1 (0.37) ALDH1A1TSHRHRH1KCNH2
SCHEMBL2926049 0.70
SCHEMBL5959974 0.70 ALDH1A1 (0.42) ALDH1A1TSHRHRH1KCNH2KDM4E
SCHEMBL17001553 0.70

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
US-20230365592-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. 2023-11-16 US disclosed
US-20230339882-A1 SHP2 INHIBITOR AND COMPOSITION AND APPLICATION THEREOF BETTA PHARMACEUTICALS CO., LTD. (CN) 2023-10-26 US disclosed
EP-3074402-B1 BICYCLOAMINE-SUBSTITUTED-N-BENZENESULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME (US) 2019-01-16 EP disclosed
US-20160008339-A1 PSORALEN DERIVATIVES FOR PREVENTING OR TREATING HEART FAILURE OR CARDIAC HYPERTROPHY MAX-DELBRUCK-CENTRUM FUR MOLEKULARE MEDIZIN (DE) 2016-01-14 US disclosed
US-8318701-B2 Phosphonate analogs of HIV inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-11-27 US disclosed
US-20120107274-A1 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-05-03 US disclosed
US-20110288053-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2011-11-24 US disclosed
US-8022083-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2011-09-20 US disclosed
US-8012941-B2 Carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2011-09-06 US disclosed
US-20110184026-A1 C4-SUBSTITUTED ALPHA-KETO OXAZOLES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-07-28 US disclosed
US-20090131372-A1 PHOSPHONATE ANALOGS FOR TREATING METABOLIC DISEASES CHEN JAMES M 2009-05-21 US disclosed
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2009-01-29 US disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 US disclosed
US-20080153783-A1 Pyrimidyl Phosphonate Antiviral Compounds and Methods of Use GILEAD SCIENCES, INC. (US) 2008-06-26 US disclosed
US-7300924-B2 Anti-infective phosphonate analogs GILEAD SCIENCES, INC. (US) 2007-11-27 US disclosed
US-20070190523-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2007-08-16 US disclosed
US-7253180-B2 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. (US) 2007-08-07 US disclosed
US-20070072809-A1 Antiviral compounds GILEAD SCIENCES, INC. 2007-03-29 US disclosed
US-20070027116-A1 Therapeutic phosphonate derivatives GILEAD SCIENCES, INC. 2007-02-01 US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 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 (12 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-20080153783-A1 Pyrimidyl Phosphonate Antiviral Compounds and Methods of Use TYMP, MTAP, PNP ALDH1A1 2933/4885TSHR 4483/4885HRH1 2771/4885
US-20160008339-A1 PSORALEN DERIVATIVES FOR PREVENTING OR TREATING HEART FAILURE OR CARDIAC HYPERTROPHY PAH, P4HA1, NPR3 ALDH1A1 1758/4885TSHR 436/4885HRH1 280/4885
US-20070072809-A1 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 ALDH1A1 2962/4885TSHR 4829/4885HRH1 3917/4885
US-20110288053-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP ALDH1A1 4754/4885TSHR 4568/4885HRH1 4351/4885
US-20120107274-A1 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, NUDT1, SLC29A2 ALDH1A1 2287/4885TSHR 816/4885HRH1 1760/4885
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds MUS81, CDKL4, INTS6 ALDH1A1 1902/4885TSHR 3915/4885HRH1 1928/4885
US-20070027116-A1 Therapeutic phosphonate derivatives PPP5C, PPP3CA, PPP4R3A ALDH1A1 3783/4885TSHR 3549/4885HRH1 4284/4885
US-20230365592-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS PAH, KDM8, PHF8 ALDH1A1 865/4885TSHR 3622/4885HRH1 465/4885
US-20090131372-A1 PHOSPHONATE ANALOGS FOR TREATING METABOLIC DISEASES PHOSPHO1, G6PC1, PC ALDH1A1 2826/4885TSHR 2537/4885HRH1 3992/4885
US-20230339882-A1 SHP2 INHIBITOR AND COMPOSITION AND APPLICATION THEREOF PTPRF, PTPRCAP, PTPRJ ALDH1A1 4192/4885TSHR 3019/4885HRH1 4434/4885
US-20110184026-A1 C4-SUBSTITUTED ALPHA-KETO OXAZOLES ACACA, AKR1C4, HSD17B12 ALDH1A1 333/4885TSHR 3944/4885HRH1 419/4885
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 ALDH1A1 3337/4885TSHR 4782/4885HRH1 3845/4885

“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.