SCHEMBL619744

SCHEMBL619744

CC(C)(C)c1ccc(CO)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 3/20 0.40
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
TKT P29401 1/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
EPHX2 P34913 1/20 0.34
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
IKBKB O14920 1/20 0.33

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
SCHEMBL1743280 0.84 TKT (0.39) CA12CA1CA2CA4CA6
SCHEMBL15799967 0.84 TKT (0.42) CCR9CA12CA1CA2CA4
SCHEMBL17403389 0.82 CA12 (0.33) CCR9CA12CA1CA2CA4
SCHEMBL20249204 0.81 CA2 (0.43) CCR9CA2TKTPPARAEPHX2
SCHEMBL1755679 0.81 KDM4E (0.43) CCR9CA2NPC1RAB9AALDH1A1
SCHEMBL30802846 0.81 KDM4E (0.43) CCR9CA2NPC1RAB9AALDH1A1
SCHEMBL20249185 0.80 CA2 (0.45) CCR9CA2TKTPPARANPC1
SCHEMBL132198 0.79 TRPV4 (0.52) TKTEGLN2
SCHEMBL2611192 0.79 ESR1 (0.43) CCR9ALDH1A1
SCHEMBL20376114 0.79 IDO1 (0.43) CCR9

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 67 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037324-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-12037324-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor AMGEN INC. (US) 2023-11-07 US disclosed
EP-4257587-A1 HYDROXAMATE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shenzhen Chipscreen Biosciences Co., Ltd. (CN) 2023-10-11 EP disclosed
US-20230045357-A1 BIARYLMETHYL HETEROCYCLES Université de Montréal (CA) 2023-02-09 US disclosed
WO-2022117016-A1 HYDROXAMATE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 深圳微芯生物科技股份有限公司 2022-06-09 WO disclosed
US-11021475-B2 Amide-substituted heterocyclic compounds useful as modulators of IL-12, IL-23 and/or IFN alpha responses BRISTOL-MYERS SQUIBB COMPANY (US) 2021-06-01 US disclosed
US-10835623-B2 Manganese-based chelate conjugates for molecular MR imaging THE GENERAL HOSPITAL CORPORATION (US) 2020-11-17 US disclosed
US-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 HEPAGENE THERAPEUTICS, INC. (VG) 2020-10-29 US disclosed
US-20200071315-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL-MYERS SQUIBB COMPANY 2020-03-05 US disclosed
US-20100311766-A1 ANTIBACTERIAL COMPOSITIONS BIOTA EUROPE LTD (GB) 2010-12-09 US disclosed
US-20100311766-A1 ANTIBACTERIAL COMPOSITIONS BIOTA EUROPE LTD (GB) 2010-12-09 US disclosed
WO-2010097410-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2010-09-02 WO disclosed
EP-1562941-B1 TRANS-9,10-DEHYDROEPOTHILONE C AND D, ANALOGS THEREOF AND METHOS OF MAKING THE SAME KOSAN BIOSCIENCES INC (US) 2009-12-23 EP disclosed
US-7579366-B2 Epothilone derivatives and their synthesis and use THE SCRIPPS RESEARCH INSTITUTE (US) 2009-08-25 US disclosed
US-7579366-B2 Epothilone derivatives and their synthesis and use THE SCRIPPS RESEARCH INSTITUTE (US) 2009-08-25 US disclosed
US-20090197877-A1 Antibacterial Compositions PROLYSIS LTD. (GB) 2009-08-06 US disclosed
US-20090197877-A1 Antibacterial Compositions PROLYSIS LTD. (GB) 2009-08-06 US disclosed
US-20090186927-A1 TRANS-9,10-DEHYDROEPOTHILONE C AND D, ANALOGS THEREOF AND METHODS OF MAKING THE SAME KOSAN BIOSCIENCES, INC. (US) 2009-07-23 US disclosed
US-20090186927-A1 TRANS-9,10-DEHYDROEPOTHILONE C AND D, ANALOGS THEREOF AND METHODS OF MAKING THE SAME KOSAN BIOSCIENCES, INC. (US) 2009-07-23 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 (10 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-11021475-B2 Amide-substituted heterocyclic compounds useful as modulators of IL-12, IL-23 and/or IFN alpha responses IFNG, IFNAR1, TYK2 CCR9 1224/4885CA12 2379/4885CA1 4478/4885
US-20090197877-A1 Antibacterial Compositions CYCS, COX6C, INTS6 CCR9 1240/4885CA12 3157/4885CA1 2937/4885
US-20100311766-A1 ANTIBACTERIAL COMPOSITIONS C5, AGK, CYCS CCR9 1962/4885CA12 3434/4885CA1 2661/4885
US-20090186927-A1 TRANS-9,10-DEHYDROEPOTHILONE C AND D, ANALOGS THEREOF AND METHODS OF MAKING THE SAME TMSB10, TUBA1C, TUBB1 CCR9 1156/4885CA12 4569/4885CA1 4505/4885
US-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 ATF1, ERN1, MAP3K1 CCR9 3520/4885CA12 4819/4885CA1 4243/4885
US-12037324-B2 Biarylmethyl heterocycles ARRB1, ADRB2, ADRB1 CCR9 911/4885CA12 4577/4885CA1 4626/4885
US-20200071315-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES IFNG, IFNAR1, TYK2 CCR9 1224/4885CA12 2379/4885CA1 4478/4885
US-10835623-B2 Manganese-based chelate conjugates for molecular MR imaging MPI, MAG, MNS1 CCR9 2111/4885CA12 374/4885CA1 412/4885
US-20230045357-A1 BIARYLMETHYL HETEROCYCLES ARRB1, ADRB2, ADRB1 CCR9 911/4885CA12 4577/4885CA1 4626/4885
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor APLNR, AGTR1, AGTR2 CCR9 447/4885CA12 4872/4885CA1 4865/4885

“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.